DICL_CP_0310239 - DICL Database

Basic Molecular Information

Basic Information

DICL ID

DICL_CP_0310239

PubChem CID

3226

Molecular Formula

C₃H₂ClF₅O

Molecular Weight

184.491 g/mol

Synonyms/Alias

[enflurane; 13838-16-9; Methylflurether; 2-Chloro-1-(difluoromethoxy)-1;1;2-trifluoroethane; Efrane; Ethrane; 2-Chloro-1;1;2-trifluoroethyl difluoromethyl ether; Alyrane; Compound 347; Anesthetic 347;...[enflurane; 13838-16-9; Methylflurether; 2-Chloro-1-(difluoromethoxy)-1;1;2-trifluoroethane; Efrane; Ethrane; 2-Chloro-1;1;2-trifluoroethyl difluoromethyl ether; Alyrane; Compound 347; Anesthetic 347; Anesthetic Compound No. 347; OHIO 347; Enflurano; Enfluranum; Ethane; 2-chloro-1-(difluoromethoxy)-1;1;2-trifluoro-; Enfluranum [INN-Latin]; Enflurano [INN-Spanish]; NSC-115944; C 347; Ether; 2-chloro-1;1;2-trifluoroethyl difluoromethyl; CHEBI:4792; DTXSID1020562; 91I69L5AY5; DTXCID30562; R-E-235CA2; MFCD00069095; NSC115944; NCGC00167422-01; ENFLURANE (MART.); ENFLURANE [MART.]; ENFLURANE (USP-RS); ENFLURANE [USP-RS]; C3H2ClF5O; ENFLURANE (USP IMPURITY); ENFLURANE [USP IMPURITY]; ENFLURANE (USP MONOGRAPH); ENFLURANE [USP MONOGRAPH]; (+/-)-2-CHLORO-1;1;2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER; ETHANE; 2-CHLORO-1-(DIFLUOROMETHOXY)-1;1;2-TRIFLUORO-; (+/-)-; Ethrane (TN); CAS-13838-16-9; EINECS 237-553-4; BRN 1903921; UNII-91I69L5AY5; HSDB 7909; Enflurane [Anaesthetics; volatile]; Enflurane [USAN:USP:INN:BAN:JAN]; (+-)-2-Chloro-1;1;2-trifluoroethyl difluoromethyl ether; WLN: GYFXFFOYFF; ENFLURANE [INN]; ENFLURANE [JAN]; ENFLURANE [MI]; ENFLURANE [USAN]; ENFLURANE [VANDF]; (+-)-ENFLURANE; ENFLURANE [WHO-DD]; CHEMBL1257; SCHEMBL61712; Enflurane (JP17/USP/INN); ENFLURANE [GREEN BOOK]; GTPL7175; ENFLURANE [ORANGE BOOK]; N01AB04; AMY14276; Ethane; 2-chloro-1-(difluoromethoxy)-1;1;2-trifluoro-; (+-)-; Tox21_112426; Tox21_200166; AKOS015853043; DB00228; NSC 115944; Ether;1;2-trifluoroethyl difluoromethyl; 4-Chloro-1H;4H-perfluoro(2-oxabutane); NCGC00167422-02; NCGC00257720-01; AS-69470; SY062224; DB-042426; NS00005449; C07516; D00543; D83877; EN300-123045; 2-Chloro-1;1;2-trifluoroethyldifluoromethylether; 2-Chloro-1;2-trifluoroethyl difluoromethyl ether; 2-Chloro-1-(difluoromethoxy)-1;2-trifluoroethane; 2-choro-1;1;2-trifluoroethyl difluoromethyl ether; Q416740; SR-01000944966; 2-Chloro-1;1;2-difluoroethane; 1-difluoromethoxy-; SR-01000944966-1; 2-chloro-1-(difluoromethoxy)-1;1;2-trifluoro-ethane; Z1255360592; (2RS)-2-Chloro-1-(difluoromethoxy)-1;1;2-trifluoroethane; 2-CHLORO-1;1;2-TRIFLUORO-1-DIFLUOROMETHOXYETHANE; 2-Chloro-1;1;2-trifluoroethyl difluoromethyl ether; AldrichCPR]

InChI Key

JPGQOUSTVILISH-UHFFFAOYSA-N

InChI

InChI=1S/C3H2ClF5O/c4-1(5)3(8,9)10-2(6)7/h1-2H

IUPAC Name

2-chloro-1-(difluoromethoxy)-1,1,2-trifluoroethane

CAS Number

13838-16-9

Structure Information

Chemical Structure Visualization

SMILES Notation

2D Molecular Drawing

Carbon (C)

Hydrogen (H)

Oxygen (O)

Nitrogen (N)

Sulfur (S)

SDF

10 9 0 0 0 0 0 0 0 0999 V2000
-1.8606 0.2196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4781 -0.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9043 -0...

Download SDF File (919 bytes)

Experimental Data

Activity Data

Target Ion Channel

Intermediate conductance calcium-activated potassium channel protein 4

Uniprot Accession Number

O15554

Function

Inhibitor

Species

Homo sapiens (Human)

IC₅₀

IC₅₀: 1010000 nM

EC₅₀

N/A (Not available)

K_i

N/A (Not available)

K_d

N/A (Not available)

Inhibition

N/A (Not available)

Experimental Conditions

pH 7.2

Holding Potential

−100 mV mV

Temperature

18 °C

Test Method

Patch-clamping

Test Species

Xenopus laevis oocyte

Binding Information

Binding Site

Not specified

Binding Site Residue

Not specified

Disease Information

Related Disease

Not specified

References

DOI

10.1016/s0014-2999(00)00254-5

URL

N/A (Not available)

PMID

10794813

Patent

N/A (Not available)

Computed Properties

Heavy Atom Count

Rotatable Bonds

logP

2.3528

Complexity

22.785

TPSA (Å²)

9.23

H-Bond Donors

H-Bond Acceptors

Ring Count

New Search

Molecular Details

Basic Molecular Information

Basic Information

Structure Information

Chemical Structure Visualization

Experimental Data

Activity Data

Experimental Conditions

Binding Information

Disease Information

References

Computed Properties