2,3,3,3-Tetrafluoropropionitrile

C₃HF₄NCAS 431-32-3127.04 g/mol

Open in Covalent MOL file

Alkyl halide Nitrile

Properties

Molecular formula: C₃HF₄N
Molar mass: 127.04 g/mol
Exact mass: 127.0045 Da
logP: 1.41Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H336 May cause drowsiness or dizziness100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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