4,4,4-Trifluoro-2-butenenitrile

C₄H₂F₃NCAS 406-86-0121.06 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Nitrile

Properties

Molecular formula: C₄H₂F₃N
Molar mass: 121.06 g/mol
Exact mass: 121.0139 Da
logP: 1.63Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

406-86-0

SMILES

N#CC=CC(F)(F)F

InChIKey

LHWSEFCIRYVTLZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H2F3N/c5-4(6,7)2-1-3-8/h1-2H

Weigh it out

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

Names and synonyms

4 names

2-Butenenitrile, 4,4,4-trifluoro-
Crotononitrile, 4,4,4-trifluoro-
4,4,4-Trifluorocrotononitrile
4,4,4-Trifluorobut-2-enenitrile

Work with 4,4,4-Trifluoro-2-butenenitrile

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

1,3,3,3-Tetrafluoropropene1645-83-636 % similar 1,1,1-Trifluoro-2-butene406-39-336 % similar 2-Butenenitrile4786-20-336 % similar 3-Methoxy-2-propenenitrile60838-50-831 % similar 4,4,4-Trifluoro-2-buten-1-ol674-53-331 % similar

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

Elsewhere

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