chempirical

cis-1,1,2,2,3,4-Hexafluorocyclobutane

C4H2F6CAS 22819-47-2164.05 g/mol

Open in Covalent MOL file
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Alkyl halide

Properties

Molecular formula
C4H2F6
Molar mass
164.05 g/mol
Exact mass
164.0061 Da
logP
1.95Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
22819-47-2
SMILES
[C@H]1([C@@H](C(C1(F)F)(F)F)F)F
InChIKey
LMSLTAIWOIYSGZ-XIXRPRMCSA-N
InChI
InChI=1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+

Weigh it out

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

Work with cis-1,1,2,2,3,4-Hexafluorocyclobutane

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 Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

trans-1,1,2,2,3,4-Hexafluorocyclobutane23012-94-4Diastereomer

Similar compounds

1H,2H-Octafluorocyclopentane828-35-367 % similar 1,1,1,2,2,3,4,5,5,5-Decafluoropentane138495-42-853 % similar 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluorohexane336-07-239 % similar 1-Chloro-1,1,2,2-tetrafluoroethane354-25-639 % similar 1,2-Dichloro-1,1,2-trifluoroethane354-23-435 % similar 1-Chloro-4H-octafluorobutane423-31-435 % similar 1-Chloro-1,1,2-trifluoro-2-iodoethane354-26-733 % similar 1-Chloro-1,2,2,2-tetrafluoroethane2837-89-032 % similar

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

Elsewhere

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