chempirical

3,5-Dichloro-4-fluorobenzotrifluoride

C7H2Cl2F4CAS 77227-81-7232.99 g/mol

Open in Covalent MOL file
FClFFFCl
Alkyl halideAryl halide

Properties

Molecular formula
C7H2Cl2F4
Molar mass
232.99 g/mol
Exact mass
231.9470 Da
logP
4.15Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
77227-81-7
SMILES
Fc1c(Cl)cc(C(F)(F)F)cc1Cl
InChIKey
BWQFQKZDLBJZAW-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2F4/c8-4-1-3(7(11,12)13)2-5(9)6(4)10/h1-2H

Weigh it out

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

Names and synonyms

4 names
  • Benzene, 1,3-dichloro-2-fluoro-5-(trifluoromethyl)-
  • 1,3-Dichloro-2-fluoro-5-(trifluoromethyl)benzene
  • 4-Fluoro-3,5-dichlorobenzotrifluoride
  • 2,6-Dichloro-1-fluoro-4-(trifluoromethyl)benzene

Work with 3,5-Dichloro-4-fluorobenzotrifluoride

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

3-Chloro-4,5-difluorobenzotrifluoride77227-99-777 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-465 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-664 % similar 3-Chloro-4-fluoro-5-nitrobenzotrifluoride101646-02-061 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-561 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-359 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-859 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-859 % similar

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

Elsewhere

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