Ethyl (2E)-4,4,4-trifluoro-2-butenoate

C₆H₇F₃O₂CAS 25597-16-4168.12 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₆H₇F₃O₂
Molar mass: 168.12 g/mol
Exact mass: 168.0398 Da
Boiling point: 113–117 °C
logP: 1.67Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

25597-16-4

SMILES

CCOC(=O)/C=C/C(F)(F)F

InChIKey

ZKRJCMKLCDWROR-ONEGZZNKSA-N

InChI

InChI=1S/C6H7F3O2/c1-2-11-5(10)3-4-6(7,8)9/h3-4H,2H2,1H3/b4-3+

Weigh it out

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

Names and synonyms

6 names

2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (2E)-
2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester, (E)-
(E)-Ethyl 4,4,4-trifluorobut-2-enoate
Ethyl (E)-4,4,4-trifluorocrotonate
Ethyl trans-4,4,4-trifluorocrotonate
Ethyl trans-4,4,4-trifluoro-2-butenoate

Work with Ethyl (2E)-4,4,4-trifluoro-2-butenoate

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

Diethyl maleate141-05-963 % similar Diethyl fumarate623-91-663 % similar Ethyl trans-crotonate623-70-157 % similar Ethyl 3-ethoxy-2-propenoate1001-26-955 % similar Ethyl (2E)-3-ethoxy-2-propenoate5941-55-955 % similar Ethyl 3-amino-4,4,4-trifluoro-2-butenoate372-29-253 % similar Ethyl sorbate2396-84-152 % similar Ethyl (2E)-4-oxo-2-butenoate2960-66-952 % similar

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

Same formula

1-(Trifluoromethyl)cyclobutanecarboxylic acid277756-45-3 2,2,2-Trifluoroethyl methacrylate352-87-4 (3E)-4-Ethoxy-1,1,1-trifluoro-3-buten-2-one59938-06-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook