chempirical

1-Ethenyl-2-(trifluoromethyl)benzene

C9H7F3CAS 395-45-9172.15 g/mol

Open in Covalent MOL file
FFF
AlkeneAlkyl halide

Properties

Molecular formula
C9H7F3
Molar mass
172.15 g/mol
Exact mass
172.0500 Da
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
395-45-9
SMILES
C=Cc1ccccc1C(F)(F)F
InChIKey
VGWWQZSCLBZOGK-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h2-6H,1H2

Weigh it out

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

Names and synonyms

5 names
  • Benzene, 1-ethenyl-2-(trifluoromethyl)-
  • Styrene, o-(trifluoromethyl)-
  • 2-(Trifluoromethyl)styrene
  • o-Trifluoromethylstyrene
  • 1-(Trifluoromethyl)-2-vinylbenzene

Work with 1-Ethenyl-2-(trifluoromethyl)benzene

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(Trifluoromethyl)benzaldehyde447-61-059 % similar 1,2-Bis(trifluoromethyl)benzene433-95-454 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-848 % similar 1-Ethenyl-2-fluorobenzene394-46-748 % similar 3-[2-(Trifluoromethyl)phenyl]-2-propenoic acid2062-25-146 % similar 2-Bromostyrene2039-88-545 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-645 % similar 2-Fluorobenzotrifluoride392-85-845 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook