1-Butyl-3,5-difluorobenzene

C₁₀H₁₂F₂CAS 1245649-46-0170.20 g/mol

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Properties

Molecular formula: C₁₀H₁₂F₂
Molar mass: 170.20 g/mol
Exact mass: 170.0907 Da
logP: 3.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Identifiers

CAS number

1245649-46-0

SMILES

CCCCc1cc(F)cc(F)c1

InChIKey

DWFGLXVQRLJKAF-UHFFFAOYSA-N

InChI

InChI=1S/C10H12F2/c1-2-3-4-8-5-9(11)7-10(12)6-8/h5-7H,2-4H2,1H3

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

Names and synonyms

1 names

Benzene, 1-butyl-3,5-difluoro-

Work with 1-Butyl-3,5-difluorobenzene

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-Fluoro-4-pentylbenzene28593-14-857 % similar 1-Ethyl-3,5-difluorobenzene117358-52-854 % similar n-Butylbenzene104-51-850 % similar Olivetol500-66-345 % similar 4-Butylaniline104-13-243 % similar 3,5-Difluorophenylacetonitrile122376-76-543 % similar 1-Butyl-4-chlorobenzene15499-27-143 % similar 4-Butylphenol1638-22-843 % similar

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

Elsewhere

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