2'-Trifluoromethyl-biphenyl-4-carbaldehyde

C14H9F3OCAS 198205-95-7250.22 g/mol

Open in Covalent MOL file
OFFF
AldehydeAlkyl halide

Properties

Molecular formula
C14H9F3O
Molar mass
250.22 g/mol
Exact mass
250.0605 Da
logP
4.18Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
198205-95-7
SMILES
C1=CC=C(C(=C1)C2=CC=C(C=C2)C=O)C(F)(F)F
InChIKey
SDDRLRQYSYHJED-UHFFFAOYSA-N
InChI
InChI=1S/C14H9F3O/c15-14(16,17)13-4-2-1-3-12(13)11-7-5-10(9-18)6-8-11/h1-9H

Weigh it out

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

Work with 2'-Trifluoromethyl-biphenyl-4-carbaldehyde

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'-Fluorobiphenyl-4-carbaldehyde57592-42-457 % similar 4'-(Trifluoromethyl)-4-biphenylcarbaldehyde90035-34-056 % similar 5-[2-(Trifluoromethyl)phenyl]furfural94098-56-354 % similar 2-(Trifluoromethyl)benzaldehyde447-61-053 % similar 2′-Methyl[1,1′-biphenyl]-4-carboxaldehyde108934-21-053 % similar 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-753 % similar 4-(Trifluoromethyl)benzaldehyde455-19-652 % similar 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-051 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3'-Trifluoromethylbiphenyl-4-carbaldehyde100036-64-4 3'-Trifluoromethylbiphenyl-3-carbaldehyde126091-24-5 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-0 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde675596-31-3 Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-1 3-(Trifluoromethyl)benzophenone728-81-4 4′-Trifluoromethylbenzophenone728-86-9 2-[4-(Trifluoromethyl)phenyl]benzaldehyde84392-23-4

Elsewhere

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