chempirical

2-Fluoro-3-(trifluoromethyl)benzaldehyde

C8H4F4OCAS 112641-20-0192.11 g/mol

Open in Covalent MOL file
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AldehydeAlkyl halideAryl halide

Properties

Molecular formula
C8H4F4O
Molar mass
192.11 g/mol
Exact mass
192.0198 Da
logP
2.66Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
112641-20-0
SMILES
C1=CC(=C(C(=C1)C(F)(F)F)F)C=O
InChIKey
XDMZVNQKVMTCSP-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-4H

Weigh it out

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

Work with 2-Fluoro-3-(trifluoromethyl)benzaldehyde

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

2-(Trifluoromethyl)benzaldehyde447-61-067 % similar 2,3-Difluorobenzaldehyde2646-91-556 % similar 3-Chloro-2-fluorobenzaldehyde85070-48-055 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 3-Bromo-2-fluorobenzotrifluoride144584-67-852 % similar 2-Fluoro-3-(trifluoromethyl)aniline123973-25-150 % similar 2-Fluoro-3-methoxybenzaldehyde103438-88-649 % similar B-(2-Fluoro-3-formylphenyl)boronic acid849061-98-949 % similar

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

Same formula

3-(Trifluoromethyl)benzoyl fluoride328-99-4 4-(Trifluoromethyl)benzoyl fluoride368-94-5 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0 2,2,2,3′-Tetrafluoroacetophenone708-64-5 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-1

Elsewhere

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