4,4,4-Trifluoro-3-methyl-2-butenoic acid

C₅H₅F₃O₂CAS 69056-67-3154.09 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Carboxylic acid

Properties

Molecular formula: C₅H₅F₃O₂
Molar mass: 154.09 g/mol
Exact mass: 154.0242 Da
Boiling point: 160–166 °C
logP: 1.58Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

69056-67-3

SMILES

CC(=CC(=O)O)C(F)(F)F

InChIKey

QRRCTLYMABZQCS-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3O2/c1-3(2-4(9)10)5(6,7)8/h2H,1H3,(H,9,10)

Weigh it out

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

Names and synonyms

3 names

2-Butenoic acid, 4,4,4-trifluoro-3-methyl-
Crotonic acid, 4,4,4-trifluoro-3-methyl-
β-(Trifluoromethyl)crotonic acid

Work with 4,4,4-Trifluoro-3-methyl-2-butenoic acid

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Citraconic acid498-23-742 % similar Trifluoroacetone421-50-136 % similar Trifluoroacetic acid76-05-136 % similar Geranic acid459-80-335 % similar Maleic acid110-16-735 % similar Fumaric acid110-17-835 % similar Poly(maleic acid)26099-09-235 % similar Crotonic acid107-93-734 % similar

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

Same formula

α-Trifluoromethylvinyl acetate2247-91-8 1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-4 1,1,1-Trifluoroacetylacetone367-57-7 Allyl trifluoroacetate383-67-5 2,2,2-Trifluoroethyl acrylate407-47-6

Elsewhere

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