1,1,1-Trifluoro-2-butene

C4H5F3CAS 406-39-3110.08 g/mol

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FFF
AlkeneAlkyl halide

Properties

Molecular formula
C4H5F3
Molar mass
110.08 g/mol
Exact mass
110.0343 Da
Boiling point
20 °C
logP
2.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
406-39-3
SMILES
CC=CC(F)(F)F
InChIKey
ICTYZHTZZOUENE-UHFFFAOYSA-N
InChI
InChI=1S/C4H5F3/c1-2-3-4(5,6)7/h2-3H,1H3

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Names and synonyms

1 names
  • 2-Butene, 1,1,1-trifluoro-

Work with 1,1,1-Trifluoro-2-butene

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

1,3,3,3-Tetrafluoropropene1645-83-644 % similar 1-Bromo-3,3,3-trifluoroprop-1-ene149597-47-742 % similar 4,4,4-Trifluoro-2-butenenitrile406-86-036 % similar 4,4,4-Trifluoro-2-buten-1-ol674-53-336 % similar 5-Bromo-4-chloro-4,5,5-trifluoropent-2-ene356-73-035 % similar Methyl 4,4,4-trifluorocrotonate85694-31-133 % similar 4,4,4-Trifluorocrotonamide590-76-132 % similar 4,4,4-Trifluorocrotonic acid71027-02-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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