chempirical

4-Bromo-2-fluorobenzotrifluoride

C7H3BrF4CAS 142808-15-9243.00 g/mol

Open in Covalent MOL file
BrFFFF
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
142808-15-9
SMILES
C1=CC(=C(C=C1Br)F)C(F)(F)F
InChIKey
OEPBVXQEVBURGC-UHFFFAOYSA-N
InChI
InChI=1S/C7H3BrF4/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H

Weigh it out

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Work with 4-Bromo-2-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

1,4-Dibromo-2-(trifluoromethyl)benzene7657-09-257 % similar 1-Bromo-3,4-difluorobenzene348-61-856 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-355 % similar 4-Bromo-2-fluoro-6-(trifluoromethyl)benzenamine875664-46-355 % similar 4-Bromo-1-iodo-2-(trifluoromethyl)benzene364-12-553 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-253 % similar 4-Bromo-2-(trifluoromethyl)aniline445-02-353 % similar 5-Bromo-2-(trifluoromethyl)benzonitrile1208076-28-153 % 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 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 3-(Bromomethyl)-1,2,4,5-tetrafluorobenzene53001-73-3

Elsewhere

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