chempirical

2,3,3,3-Tetrafluoropropionitrile

C3HF4NCAS 431-32-3127.04 g/mol

Open in Covalent MOL file
NFFFF
Alkyl halideNitrile

Properties

Molecular formula
C3HF4N
Molar mass
127.04 g/mol
Exact mass
127.0045 Da
logP
1.41Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
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
431-32-3
SMILES
C(#N)C(C(F)(F)F)F
InChIKey
CFPAMJZAMYOJER-UHFFFAOYSA-N
InChI
InChI=1S/C3HF4N/c4-2(1-8)3(5,6)7/h2H

Weigh it out

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

Work with 2,3,3,3-Tetrafluoropropionitrile

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

Pentafluoroethane354-33-633 % similar 1,1,1,2,3,3,3-Heptafluoropropane431-89-033 % similar Dichloroacetonitrile3018-12-032 % similar Dibromoacetonitrile3252-43-532 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook