chempirical

1-Chloro-2,3,3-trifluorocyclobutene

C4H2ClF3CAS 694-62-2142.51 g/mol

Open in Covalent MOL file
FFFCl
AlkeneAlkyl halideVinyl halide

Properties

Molecular formula
C4H2ClF3
Molar mass
142.51 g/mol
Exact mass
141.9797 Da
logP
2.45Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

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
694-62-2
SMILES
C1C(=C(C1(F)F)F)Cl
InChIKey
NTBUBNMKBVNZBB-UHFFFAOYSA-N
InChI
InChI=1S/C4H2ClF3/c5-2-1-4(7,8)3(2)6/h1H2

Weigh it out

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

Work with 1-Chloro-2,3,3-trifluorocyclobutene

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

Similar compounds

2-Chloroheptafluoro-2-butene434-41-333 % similar Perfluoro-2-butene360-89-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook