Allyl trifluoroacetate

C₅H₅F₃O₂CAS 383-67-5154.09 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: 1.168 g/mL (at 25 °C)
Boiling point: 66–67 °C
logP: 1.28Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H335 May cause respiratory irritation89.1% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

383-67-5

SMILES

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

InChIKey

XIVPVSIDXBTZLM-UHFFFAOYSA-N

InChI

InChI=1S/C5H5F3O2/c1-2-3-10-4(9)5(6,7)8/h2H,1,3H2

Weigh it out

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

Names and synonyms

6 names

Acetic acid, 2,2,2-trifluoro-, 2-propen-1-yl ester
Acetic acid, trifluoro-, allyl ester
Acetic acid, trifluoro-, 2-propenyl ester
NSC 20943
Allyl-2,2,2-trifluoroacetate
2-Propenyl 2,2,2-trifluoroacetate

Work with Allyl trifluoroacetate

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

Ethyl trifluoroacetate383-63-150 % similar 2,2,2-Trifluoroethyl trifluoroacetate407-38-550 % similar Ethenyl 2,2,2-trifluoroacetate433-28-350 % similar Methyl 2-propen-1-yl carbonate35466-83-247 % similar Diallyl dicarbonate115491-93-547 % similar Diallyl maleate999-21-347 % similar Allyl chloroformate2937-50-045 % similar Allyl acetate591-87-745 % 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 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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