chempirical

2,4-Difluorobenzotrifluoride

C7H3F5CAS 64248-61-9182.09 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halide

Properties

Molecular formula
C7H3F5
Molar mass
182.09 g/mol
Exact mass
182.0155 Da
logP
2.98Crippen estimate
Polar surface area
0.0 Ų
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
64248-61-9
SMILES
C1=CC(=C(C=C1F)F)C(F)(F)F
InChIKey
PQJOLFTWPSZESR-UHFFFAOYSA-N
InChI
InChI=1S/C7H3F5/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Weigh it out

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

Work with 2,4-Difluorobenzotrifluoride

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

4-Bromo-2-fluorobenzotrifluoride142808-15-959 % similar 5-Fluoro-2-(trifluoromethyl)phenol243459-91-859 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-959 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-359 % similar 4-Fluoro-2-methyl-1-(trifluoromethyl)benzene80245-26-759 % similar 5-Fluoro-2-(trifluoromethyl)aniline827-20-359 % similar 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-058 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-753 % similar

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

Same formula

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-2 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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