trans-1,1,2,2,3,4-Hexafluorocyclobutane

C4H2F6CAS 23012-94-4164.05 g/mol

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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
S, Sin SMILES atom order

Hazards

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

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Identifiers

CAS number
23012-94-4
SMILES
[C@@H]1([C@@H](C(C1(F)F)(F)F)F)F
InChIKey
LMSLTAIWOIYSGZ-LWMBPPNESA-N
InChI
InChI=1S/C4H2F6/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2-/m0/s1

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

Work with trans-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.

cis-1,1,2,2,3,4-Hexafluorocyclobutane22819-47-2Diastereomer

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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