chempirical

Isoflurothyl

C4H4F6OCAS 13171-18-1182.07 g/mol

Open in Covalent MOL file
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Alkyl halideEther

Properties

Molecular formula
C4H4F6O
Molar mass
182.07 g/mol
Exact mass
182.0166 Da
Boiling point
50–50.5 °C
logP
2.13Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number
13171-18-1
SMILES
COC(C(F)(F)F)C(F)(F)F
InChIKey
VNXYDFNVQBICRO-UHFFFAOYSA-N
InChI
InChI=1S/C4H4F6O/c1-11-2(3(5,6)7)4(8,9)10/h2H,1H3

Weigh it out

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

Names and synonyms

13 names · show all
  • Propane, 1,1,1,3,3,3-hexafluoro-2-methoxy-
  • Ether, methyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl
  • 1,1,1,3,3,3-Hexafluoro-2-methoxypropane
  • Hexafluoroisopropyl methyl ether
  • Bis(trifluoromethyl)methyl methyl ether
  • 1,1,1,3,3,3-Hexafluoroisopropyl methyl ether
  • Isoindoklon
  • 356mmzEβγ
  • iso-Flurothyl
  • 1-Methoxy-1-trifluoromethyl-2,2,2-trifluoroethane
  • HFE 356mmz
  • 1-(Trifluoromethyl)-2,2,2-trifluoroethyl methyl ether
  • Methyl 1-(trifluoromethyl)-2,2,2-trifluoroethyl ether

Work with Isoflurothyl

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

Trifluoroacetaldehyde methyl hemiacetal431-46-950 % similar Sevoflurane28523-86-639 % similar Trimethyl orthoformate149-73-533 % similar Hexafluoroisopropyl methacrylate3063-94-332 % similar (2S)-1,1,1-Trifluoropropan-2-ol3539-97-732 % similar 1,1,1-Trifluoro-2-propanol374-01-632 % similar Methyl 2,3,3,3-tetrafluoropropanoate382-93-431 % similar 2-(Trifluoromethyl)oxirane359-41-130 % similar

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

Same formula

1,1′-Oxybis[2,2,2-trifluoroethane]333-36-8 3-(Difluoromethoxy)-1,1,2,2-tetrafluoropropane35042-99-0 2,2,3,4,4,4-Hexafluorobutan-1-ol382-31-0 1,1,2,3,3,3-Hexafluoropropyl methyl ether382-34-3

Elsewhere

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