chempirical

3,4-Difluorotoluene

C7H6F2CAS 2927-34-6128.12 g/mol

Open in Covalent MOL file
FF
Aryl halide

Properties

Molecular formula
C7H6F2
Molar mass
128.12 g/mol
Exact mass
128.0438 Da
logP
2.27Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)

Aggregated from 82 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number
2927-34-6
SMILES
CC1=CC(=C(C=C1)F)F
InChIKey
FZMPLKVGINKUJZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3

Weigh it out

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

Work with 3,4-Difluorotoluene

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-Chloro-1-fluoro-4-methylbenzene1513-25-363 % similar 2-Fluoro-4-methylanisole399-55-362 % similar 2-Fluoro-5-methylanisole63762-78-762 % similar 2-Bromo-1-fluoro-4-methylbenzene452-62-060 % similar 4-Bromo-3-fluorotoluene452-74-460 % similar 2-Fluoro-1-iodo-4-methylbenzene452-79-960 % similar 2-Fluoro-4-methylaniline452-80-260 % similar 2-Fluoro-4-methylphenol452-81-360 % 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 1,4-Difluoro-2-methylbenzene452-67-5 2,4-Difluoro-1-methylbenzene452-76-6 (Difluoromethyl)benzene455-31-2

Elsewhere

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