chempirical

Isoflurane

C3H2ClF5OCAS 26675-46-7184.49 g/mol

Open in Covalent MOL file
FFOClFFF
Alkyl halideEther

Properties

Molecular formula
C3H2ClF5O
Molar mass
184.49 g/mol
Exact mass
183.9714 Da
Density
1.5 g/mL
Melting point
48.5 °C
Boiling point
48.5 °C
logP
2.35Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
26675-46-7
SMILES
FC(F)OC(Cl)C(F)(F)F
InChIKey
PIWKPBJCKXDKJR-UHFFFAOYSA-N
InChI
InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

20 names · show all
  • Ethane, 2-chloro-2-(difluoromethoxy)-1,1,1-trifluoro-
  • Ether, 1-chloro-2,2,2-trifluoroethyl difluoromethyl
  • 2-Chloro-2-(difluoromethoxy)-1,1,1-trifluoroethane
  • Forane
  • Difluoromethyl 1-chloro-2,2,2-trifluoroethyl ether
  • 1-Chloro-2,2,2-trifluoroethyl difluoromethyl ether
  • R-E 235Da1
  • (±)-Isoflurane
  • HCFE 235da2
  • Forene
  • Aerrane
  • Compound 469
  • IsoFlo
  • IsoFlo (anesthetic)
  • Isoforine
  • Attane
  • Isorrane
  • Isoba
  • Isofor
  • Escain

Work with Isoflurane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Desflurane57041-67-550 % similar 1-Chloro-1,2,2,2-tetrafluoroethane2837-89-038 % similar 2,2-Dichloro-1,1,1-trifluoroethane306-83-235 % similar (±)-Halothane151-67-731 % similar Pentafluoroethane354-33-630 % similar 1,1,1,2,3,3,3-Heptafluoropropane431-89-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Enflurane13838-16-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook