2-Fluoro-3-(trifluoromethyl)benzaldehyde

C8H4F4OCAS 112641-20-0192.11 g/mol

Open in Covalent MOL file
FFFFO
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

Warning
Irritant (GHS07)

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Chloro-3-(trifluoromethyl)benzaldehyde93118-03-764 % similar 2-Methyl-3-(trifluoromethyl)benzaldehyde878001-20-862 % 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7 2,2,2,4′-Tetrafluoroacetophenone655-32-3 2',3',4',5'-Tetrafluoroacetophenone66286-21-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook