1,3-Difluoro-2-methylbenzene

C₇H₆F₂CAS 443-84-5128.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆F₂
Molar mass: 128.12 g/mol
Exact mass: 128.0438 Da
Density: 1.1296 g/mL (at 20 °C)
Boiling point: 112 °C
logP: 2.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

443-84-5

SMILES

Cc1c(F)cccc1F

InChIKey

MZLSNIREOQCDED-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F2/c1-5-6(8)3-2-4-7(5)9/h2-4H,1H3

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,3-difluoro-2-methyl-
Toluene, 2,6-difluoro-
2,6-Difluorotoluene
2,6-Difluoro(methyl)benzene

Work with 1,3-Difluoro-2-methylbenzene

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

3-Fluoro-O-xylene443-82-371 % similar 1-Bromo-3-fluoro-2-methylbenzene1422-54-468 % similar 2-Chloro-6-fluorotoluene443-83-468 % similar 3-Fluoro-2-methylaniline443-86-768 % similar 1-Fluoro-3-iodo-2-methylbenzene443-85-665 % similar 3-Fluoro-2-methylphenol443-87-865 % similar 3-Fluoro-2-methylbenzoic acid699-90-152 % similar 1-Fluoro-2-methyl-3-nitrobenzene769-10-852 % 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 1,4-Difluoro-2-methylbenzene452-67-5 2,4-Difluoro-1-methylbenzene452-76-6 (Difluoromethyl)benzene455-31-2

Elsewhere

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