α-Trifluoromethylvinyl acetate

C₅H₅F₃O₂CAS 2247-91-8154.09 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester

Properties

Molecular formula: C₅H₅F₃O₂
Molar mass: 154.09 g/mol
Exact mass: 154.0242 Da
Density: 1.2119 g/mL (at 25 °C)
Boiling point: 86.5 °C
logP: 1.63Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

2247-91-8

SMILES

C=C(OC(C)=O)C(F)(F)F

InChIKey

VOKGSDIHTCTXDS-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H3

Weigh it out

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

Names and synonyms

5 names

1-Propen-2-ol, 3,3,3-trifluoro-, 2-acetate
1-Propen-2-ol, 3,3,3-trifluoro-, acetate
1,1,1-Trifluoro-2-propen-2-yl acetate
1-(Trifluoromethyl)vinyl acetate
1,1,1-Trifluoro-2-(acetyloxy)-2-propene

Work with α-Trifluoromethylvinyl acetate

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

Isopropenyl acetate108-22-544 % similar Acetic anhydride108-24-743 % similar Isopropyl acetate108-21-439 % similar 2-(Acetyloxy)-2-propenenitrile3061-65-238 % similar Trifluoroacetic anhydride407-25-037 % similar Trifluoroacetone421-50-137 % similar Methyltriacetoxysilane4253-34-336 % similar (+)-Diacetyl-L-tartaric anhydride6283-74-535 % similar

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

Same formula

1-(Trifluoromethyl)cyclopropanecarboxylic acid277756-46-4 1,1,1-Trifluoroacetylacetone367-57-7 Allyl trifluoroacetate383-67-5 2,2,2-Trifluoroethyl acrylate407-47-6 4,4,4-Trifluoro-3-methyl-2-butenoic acid69056-67-3

Elsewhere

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