1,2,5-Trifluoro-3-methylbenzene

C₇H₅F₃CAS 132992-29-1146.11 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₇H₅F₃
Molar mass: 146.11 g/mol
Exact mass: 146.0343 Da
logP: 2.41Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

132992-29-1

SMILES

Cc1cc(F)cc(F)c1F

InChIKey

ZQWBCGBMUFLFPC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5F3/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3

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

Names and synonyms

2 names

Benzene, 1,2,5-trifluoro-3-methyl-
2,3,5-Trifluorotoluene

Work with 1,2,5-Trifluoro-3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2,3,5-Tetrafluorobenzene2367-82-064 % similar 1,4-Difluoro-2-methylbenzene452-67-552 % similar 2,4-Difluoro-1-methylbenzene452-76-652 % similar 2-Bromo-5-fluoro-1,3-dimethylbenzene14659-58-648 % similar 1,2-Difluoro-3-methylbenzene3828-49-746 % similar 1,2,4,5-Tetrafluoro-3-methylbenzene5230-78-446 % similar 2,3,5-Ttrifluorobenzaldehyde126202-23-145 % similar 2,3,5-Trifluorophenylboronic acid247564-73-445 % similar

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

Same formula

Trifluorotoluene98-08-8

Elsewhere

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