chempirical

2-Fluorobenzotrifluoride

C7H4F4CAS 392-85-8164.10 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halide

Properties

Molecular formula
C7H4F4
Molar mass
164.10 g/mol
Exact mass
164.0249 Da
Boiling point
114.5 °C
logP
2.84Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
392-85-8
SMILES
Fc1ccccc1C(F)(F)F
InChIKey
BGVGHYOIWIALFF-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H

Weigh it out

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

Names and synonyms

9 names
  • Benzene, 1-fluoro-2-(trifluoromethyl)-
  • Toluene, o,α,α,α-tetrafluoro-
  • 1-Fluoro-2-(trifluoromethyl)benzene
  • o-Fluorobenzotrifluoride
  • o,α,α,α-Tetrafluorotoluene
  • 2-Trifluoromethylfluorobenzene
  • o-Fluoro(trifluoromethyl)benzene
  • NSC 10314
  • 2-Fluoro-1-trifluoromethylbenzene

Work with 2-Fluorobenzotrifluoride

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

1,2-Bis(trifluoromethyl)benzene433-95-465 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-564 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-359 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-359 % similar 1-Fluoro-2-(trichloromethyl)benzene488-98-256 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-253 % similar 1-Bromo-2-(trifluoromethyl)benzene392-83-652 % similar 3-Fluoro-4-(trifluoromethyl)pyridine113770-87-950 % similar

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

Same formula

3-Fluorobenzotrifluoride401-80-9 4-Fluorobenzotrifluoride402-44-8 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-4

Elsewhere

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