chempirical

4-Bromo-3-fluorobenzotrifluoride

C7H3BrF4CAS 40161-54-4243.00 g/mol

Open in Covalent MOL file
FFFFBr
Alkyl halideAryl halide

Properties

Molecular formula
C7H3BrF4
Molar mass
243.00 g/mol
Exact mass
241.9354 Da
logP
3.61Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
40161-54-4
SMILES
C1=CC(=C(C=C1C(F)(F)F)F)Br
InChIKey
XCTQZIUCYJVRLJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-5-2-1-4(3-6(5)9)7(10,11)12/h1-3H

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Work with 4-Bromo-3-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

1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-265 % similar 1-Bromo-2,4-bis(trifluoromethyl)benzene327-75-364 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-060 % similar 2-Bromo-5-(trifluoromethyl)phenol402-05-160 % similar 2-Bromo-5-trifluoromethylaniline454-79-560 % similar 4-Chloro-3-fluorobenzotrifluoride32137-20-557 % similar 1-(Bromomethyl)-2-fluoro-4-(trifluoromethyl)benzene239087-07-156 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-455 % similar

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

Same formula

2-Bromo-3-fluorobenzotrifluoride104540-42-3 3-Bromo-5-fluorobenzotrifluoride130723-13-6 4-Bromo-2-fluorobenzotrifluoride142808-15-9 3-Bromo-2-fluorobenzotrifluoride144584-67-8 1-Bromo-3-fluoro-2-(trifluoromethyl)benzene261951-85-3 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-9 5-Bromo-2-fluorobenzotrifluoride393-37-3 2-Bromo-5-fluorobenzotrifluoride40161-55-5

Elsewhere

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