ICF

1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER

Created: 2004-11-19
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count12
Chiral Atom Count1
Bond Count11
Aromatic Bond Count0
2D diagram of ICF
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Chemical Component Summary

Name1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER
SynonymsISOFLURANE
Systematic Name (OpenEye OEToolkits)(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-ethane
FormulaC3 H2 Cl F5 O
Molecular Weight184.492
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04(2S)-2-chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
SMILESCACTVS3.341FC(F)O[CH](Cl)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0C(C(F)(F)F)(OC(F)F)Cl
Canonical SMILESCACTVS3.341 FC(F)O[C@@H](Cl)C(F)(F)F
Canonical SMILESOpenEye OEToolkits1.5.0 [C@H](C(F)(F)F)(OC(F)F)Cl
InChIInChI1.03 InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H/t1-/m1/s1
InChIKeyInChI1.03 PIWKPBJCKXDKJR-PVQJCKRUSA-N

Drug Info: DrugBank

DrugBank IDDB00753 
NameIsoflurane
Groups
  • approved
  • vet_approved
DescriptionA stable, non-explosive inhalation anesthetic, relatively free from significant side effects.
Synonyms
  • Isoflurane
  • 1-chloro-2,2,2-trifluoroethyl difluoromethyl ether
  • Isofluranum
  • Isoflurano
Brand Names
  • Terrell
  • Forane Liq Inh
  • Isoflurane USP
  • Isoflurane
  • Forane
IndicationFor induction and maintenance of general anesthesia.
Categories
  • Agents that produce hypertension
  • Agents that reduce seizure threshold
  • Anesthetics
  • Anesthetics, General
  • Anesthetics, Inhalation
ATC-CodeN01AB06
CAS number26675-46-7

Drug Targets

NameTarget SequencePharmacological ActionActions
Gamma-aminobutyric acid receptor subunit alpha-1MRKSPGLSDCLWAWILLLSTLTGRSYGQPSLQDELKDNTTVFTRILDRLL...unknownagonist
Calcium-transporting ATPase type 2C member 1MKVARFQKIPNGENETMIPVLTSKKASELPVSEVASILQADLQNGLNKCE...unknowninhibitor
Glycine receptor subunit alpha-1MYSFNTLRLYLWETIVFFSLAASKEAEAARSAPKPMSPSDFLDKLMGRTS...unknownagonist
Glutamate receptor 1MQHIFAFFCTGFLGAVVGANFPNNIQIGGLFPNQQSQEHAAFRFALSQLT...unknownantagonist
Potassium voltage-gated channel subfamily A member 1MTVMSGENVDEASAAPGHPQDGSYPRQADHDDHECCERVVINISGLRFET...unknowninducer
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 4369440
CCDC/CSD TOBBIV