chempirical

2-Fluoro-6-(trifluoromethyl)benzaldehyde

C8H4F4OCAS 60611-24-7192.11 g/mol

Open in Covalent MOL file
FOFFF
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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
60611-24-7
SMILES
C1=CC(=C(C(=C1)F)C=O)C(F)(F)F
InChIKey
FAKUGVHRTLCKHB-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-4H

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Work with 2-Fluoro-6-(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

2,6-Difluorobenzaldehyde437-81-064 % similar 2-Bromo-6-fluorobenzaldehyde360575-28-655 % similar 6-Fluorosalicylaldehyde38226-10-755 % similar 2-Chloro-6-fluorobenzaldehyde387-45-155 % similar 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-354 % similar 2-Fluorobenzotrifluoride392-85-853 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-553 % similar 2-Fluoro-6-methylbenzaldehyde117752-04-253 % similar

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

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 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 2',3',4',5'-Tetrafluoroacetophenone66286-21-3

Elsewhere

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