chempirical

Allyl trifluoroacetate

C5H5F3O2CAS 383-67-5154.09 g/mol

Open in Covalent MOL file
OOFFF
AlkeneAlkyl halideEster

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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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

Elsewhere

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