1,2-Difluoro-3-(trifluoromethyl)benzene

C₇H₃F₅CAS 64248-59-5182.09 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃F₅
Molar mass: 182.09 g/mol
Exact mass: 182.0155 Da
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

64248-59-5

SMILES

Fc1cccc(C(F)(F)F)c1F

InChIKey

CBOJZWDLNLMBLM-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F5/c8-5-3-1-2-4(6(5)9)7(10,11)12/h1-3H

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

Names and synonyms

2 names

Benzene, 1,2-difluoro-3-(trifluoromethyl)-
2,3-Difluorobenzotrifluoride

Work with 1,2-Difluoro-3-(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-Fluorobenzotrifluoride392-85-864 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-861 % similar 2-Bromo-3-fluorobenzotrifluoride104540-42-359 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-159 % similar 2-(Bromomethyl)-1-fluoro-3-(trifluoromethyl)benzene239087-08-258 % similar 2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-053 % similar 2-Fluoro-6-(trifluoromethyl)benzonitrile133116-83-353 % similar 1-(Bromomethyl)-2-fluoro-3-(trifluoromethyl)benzene184970-25-053 % similar

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

Same formula

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-2 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-4 2,3,4,5,6-Pentafluorotoluene771-56-2

Elsewhere

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