chempirical

(Difluoromethyl)benzene

C7H6F2CAS 455-31-2128.12 g/mol

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Alkyl halide

Properties

Molecular formula
C7H6F2
Molar mass
128.12 g/mol
Exact mass
128.0438 Da
logP
2.62Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
455-31-2
SMILES
C1=CC=C(C=C1)C(F)F
InChIKey
JDZLOJYSBBLXQD-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F2/c8-7(9)6-4-2-1-3-5-6/h1-5,7H

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Names and synonyms

7 names
  • Difluoromethylbenzene
  • Benzene, (difluoromethyl)-
  • Alpha,alpha-difluorotoluene
  • Benzalfluorid
  • a,a-Difluorotoluene
  • Difluoromethyl-benzene
  • Difluoromethylbenzene, stabilized over potassium carbonate

Work with (Difluoromethyl)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

1,4-Bis(difluoromethyl)benzene369-54-069 % similar meso-Stilbene dibromide13440-24-943 % similar trans-Stilbene oxide1439-07-243 % similar Rel-(1R,2R)-1,2-diphenyl-1,2-ethanediamine16635-95-343 % similar (-)-(S,S)-1,2-Diphenylethylenediamine29841-69-843 % similar Diphenylethylenediamine35132-20-843 % similar Rel-(1R,2S)-1,2-diphenyl-1,2-ethanediol579-43-143 % similar 1,1-Diphenylethane612-00-043 % similar

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

Same formula

3,5-Difluorotoluene117358-51-7 1,2-Difluoro-3-methylbenzene3828-49-7 1,3-Difluoro-2-methylbenzene443-84-5 1,4-Difluoro-2-methylbenzene452-67-5 2,4-Difluoro-1-methylbenzene452-76-6

Elsewhere

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