4-Fluoro-2-methyl-1-(trifluoromethyl)benzene

C₈H₆F₄CAS 80245-26-7178.13 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₆F₄
Molar mass: 178.13 g/mol
Exact mass: 178.0406 Da
logP: 3.15Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

80245-26-7

SMILES

CC1=C(C=CC(=C1)F)C(F)(F)F

InChIKey

XBUKSKTZQURUDT-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F4/c1-5-4-6(9)2-3-7(5)8(10,11)12/h2-4H,1H3

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Names and synonyms

1 names

4-Fluoro-2-methylbenzotrifluoride

Work with 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene

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

2,4-Difluorobenzotrifluoride64248-61-959 % similar 4-Fluoro-1,2-dimethylbenzene452-64-256 % similar 5-Fluoro-2-(trifluoromethyl)phenol243459-91-855 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-955 % similar 5-Fluoro-2-(trifluoromethyl)aniline827-20-355 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-453 % similar 1-Methyl-2-(trifluoromethyl)benzene13630-19-852 % similar 1,4-Difluoro-2-methylbenzene452-67-552 % similar

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

Same formula

1,4-Bis(difluoromethyl)benzene369-54-0 2,3,5,6-Tetrafluoro-P-xylene703-87-7

Elsewhere

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