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

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed89.4% of notifiers
H312 Harmful in contact with skin87.2% of notifiers
H315 Causes skin irritation14.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled89.4% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

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 2,2,2-Trifluoroethyl acetate406-95-139 % similar 2-(Acetyloxy)-2-propenenitrile3061-65-238 % similar Trifluoroacetic anhydride407-25-037 % similar Trifluoroacetone421-50-137 % similar Methyltriacetoxysilane4253-34-336 % 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 Methyl 4,4,4-trifluorocrotonate85694-31-1

Elsewhere

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