1,4-Difluoro-2-methylbenzene

C₇H₆F₂CAS 452-67-5128.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₆F₂
Molar mass: 128.12 g/mol
Exact mass: 128.0438 Da
Boiling point: 117 °C
logP: 2.27Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

452-67-5

SMILES

Cc1cc(F)ccc1F

InChIKey

YSNVKDGEALPJGC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,4-difluoro-2-methyl-
Toluene, 2,5-difluoro-
2,5-Difluorotoluene
NSC 25757

Work with 1,4-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

4-Fluoro-1,2-dimethylbenzene452-64-265 % similar 1-Fluoro-4-iodo-2-methylbenzene452-68-658 % similar 4-Fluoro-1-iodo-2-methylbenzene66256-28-858 % similar 1,2,4-Trifluorobenzene367-23-757 % similar 1-Chloro-4-fluoro-2-methylbenzene33406-96-156 % similar 2-Bromo-5-fluorotoluene452-63-156 % similar 4-Chloro-1-fluoro-2-methylbenzene452-66-456 % similar 4-Fluoro-3-methylaniline452-69-756 % 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 2,4-Difluoro-1-methylbenzene452-76-6 (Difluoromethyl)benzene455-31-2

Elsewhere

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