4,4,4-Trifluorocrotonamide

C₄H₄F₃NOCAS 590-76-1139.08 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Amide

Properties

Molecular formula: C₄H₄F₃NO
Molar mass: 139.08 g/mol
Exact mass: 139.0245 Da
logP: 0.59Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1
Double bonds: EE/Z, in SMILES order

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

590-76-1

SMILES

C(=C/C(F)(F)F)\C(=O)N

InChIKey

UUJWVXVMQOGZID-OWOJBTEDSA-N

InChI

InChI=1S/C4H4F3NO/c5-4(6,7)2-1-3(8)9/h1-2H,(H2,8,9)/b2-1+

Weigh it out

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

Work with 4,4,4-Trifluorocrotonamide

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

4,4,4-Trifluorocrotonic acid71027-02-648 % similar Methyl 4,4,4-trifluorocrotonate85694-31-143 % similar Ethyl (2E)-4,4,4-trifluoro-2-butenoate25597-16-439 % similar 1,3,3,3-Tetrafluoropropene1645-83-638 % similar 1,1,1-Trifluoro-2-butene406-39-332 % similar 4-Chlorocinnamamide18166-64-831 % similar 1-Bromo-3,3,3-trifluoroprop-1-ene149597-47-731 % similar

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

Same formula

4-Amino-1,1,1-trifluoro-3-buten-2-one184848-89-3 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile335-08-0

Elsewhere

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