chempirical

2,3,4-Trifluorotoluene

C7H5F3CAS 193533-92-5146.11 g/mol

Open in Covalent MOL file
FFF
Aryl halide

Properties

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

Hazards

Warning
Flammable (GHS02)

Aggregated from 42 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
193533-92-5
SMILES
CC1=C(C(=C(C=C1)F)F)F
InChIKey
LRQPEHJWTXCLQY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F3/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3

Weigh it out

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Work with 2,3,4-Trifluorotoluene

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

1,2,3,4-Tetrafluorobenzene551-62-263 % similar 1,2-Difluoro-3-methylbenzene3828-49-763 % similar 2-Fluoro-1,3-dimethylbenzene443-88-952 % similar 2,6-Difluoro-3-methylbenzoyl chloride261763-39-750 % similar 2,3-Difluoro-4-methylbenzaldehyde245536-50-948 % similar 2,3,4-Trifluoroanisole203245-16-346 % similar 4-Fluoro-3-methylphenol452-70-046 % similar 3-Fluoro-4-methylphenol452-78-846 % similar

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

Same formula

1,2,5-Trifluoro-3-methylbenzene132992-29-1 Trifluorotoluene98-08-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook