3,3′-Difluoro-1,1′-biphenyl

C₁₂H₈F₂CAS 396-64-5190.19 g/mol

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Properties

Molecular formula: C₁₂H₈F₂
Molar mass: 190.19 g/mol
Exact mass: 190.0594 Da
Density: 1.372 g/mL (at −10 °C)
Melting point: 7–8 °C
Boiling point: 130 °C
logP: 3.63Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Identifiers

CAS number

396-64-5

SMILES

Fc1cccc(-c2cccc(F)c2)c1

InChIKey

GAYJHUJLHJWCTH-UHFFFAOYSA-N

InChI

InChI=1S/C12H8F2/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10/h1-8H

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Names and synonyms

6 names

1,1′-Biphenyl, 3,3′-difluoro-
Biphenyl, 3,3′-difluoro-
3,3′-Difluorobiphenyl
m,m′-Difluorobiphenyl
3,3′-Difluorodiphenyl
1-Fluoro-3-(3-fluorophenyl)benzene

Work with 3,3′-Difluoro-1,1′-biphenyl

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-Difluorobenzene372-18-969 % similar 3′-Fluoro[1,1′-biphenyl]-3-carboxylic acid168619-04-354 % similar 1-Chloro-3-fluorobenzene625-98-952 % similar 3′-Fluoro[1,1′-biphenyl]-4-carboxylic acid1841-58-352 % similar 4'-Fluoro(1,1'-biphenyl)-3-amine10540-45-150 % similar 1-Bromo-3-fluorobenzene1073-06-950 % similar 1-Fluoro-3-iodobenzene1121-86-450 % similar 3-Fluorothiophenol2557-77-950 % similar

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

Same formula

2,4-Difluoro-1,1′-biphenyl37847-52-2 2,2′-Difluoro-1,1′-biphenyl388-82-9 4,4'-Difluorobiphenyl398-23-2

Elsewhere

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