1,2-Difluoro-4-(trifluoromethyl)benzene

C₇H₃F₅CAS 32137-19-2182.09 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃F₅
Molar mass: 182.09 g/mol
Exact mass: 182.0155 Da
Melting point: 95–98 °C
Boiling point: 104 °C
logP: 2.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

32137-19-2

SMILES

Fc1ccc(C(F)(F)F)cc1F

InChIKey

MVCGQTYWLZSKSB-UHFFFAOYSA-N

InChI

InChI=1S/C7H3F5/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

Weigh it out

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

Names and synonyms

4 names

Benzene, 1,2-difluoro-4-(trifluoromethyl)-
Toluene, α,α,α,3,4-pentafluoro-
3,4-Difluorobenzotrifluoride
α,α,α,3,4-Pentafluorotoluene

Work with 1,2-Difluoro-4-(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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloro-4-fluorobenzotrifluoride78068-85-663 % similar 2-Fluoro-4-(trifluoromethyl)benzonitrile146070-34-057 % similar 2-(Bromomethyl)-1-fluoro-4-(trifluoromethyl)benzene220239-69-057 % similar 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-157 % similar 2-Fluoro-5-(trifluoromethyl)phenylboronic acid352535-96-757 % similar 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-957 % similar 1,4-Bis(trifluoromethyl)benzene433-19-252 % similar 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-752 % similar

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

Same formula

1,4-Difluoro-2-(trifluoromethyl)benzene393-38-4 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-5 2,3,4,5,6-Pentafluorotoluene771-56-2

Elsewhere

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