chempirical

2-Fluoro-5-(trifluoromethyl)benzaldehyde

C8H4F4OCAS 146137-78-2192.11 g/mol

Open in Covalent MOL file
FFFOF
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
146137-78-2
SMILES
C1=CC(=C(C=C1C(F)(F)F)C=O)F
InChIKey
IDLNLGMUINCSGS-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H

Weigh it out

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

Work with 2-Fluoro-5-(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-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-974 % similar 2,5-Bis(trifluoromethyl)benzaldehyde395-64-266 % similar 2-Bromo-4-(trifluoromethyl)benzaldehyde85118-24-757 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-257 % similar 2-Fluoro-5-(trifluoromethoxy)benzaldehyde886497-81-054 % similar 2-Fluoro-5-iodobenzaldehyde146137-76-053 % similar 5-Bromo-2-fluorobenzaldehyde93777-26-553 % similar 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-453 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0 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

Elsewhere

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