2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde

C₁₄H₉F₃OCAS 675596-31-3250.22 g/mol

Open in Covalent MOL file

Aldehyde Alkyl 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 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

675596-31-3

SMILES

O=Cc1cccc(-c2ccccc2C(F)(F)F)c1

InChIKey

FUQDVSPEJKKYQH-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F3O/c15-14(16,17)13-7-2-1-6-12(13)11-5-3-4-10(8-11)9-18/h1-9H

Weigh it out

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

Names and synonyms

3 names

[1,1′-Biphenyl]-3-carboxaldehyde, 2′-(trifluoromethyl)-
2′-Trifluoromethyl-biphenyl-3-carbaldehyde
2′-(Trifluoromethyl)-[1,1′-biphenyl]-3-carbaldehyde

Work with 2′-(Trifluoromethyl)[1,1′-biphenyl]-3-carboxaldehyde

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

3-(2-Fluorophenyl)benzaldehyde676348-33-761 % similar [1,1′-Biphenyl]-3-carboxaldehyde1204-60-054 % similar 3-(Trifluoromethyl)benzaldehyde454-89-754 % similar 3-(2-Methoxyphenyl)benzaldehyde122801-57-452 % similar 2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-252 % similar 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-051 % similar 4-Chloro-3-(trifluoromethyl)benzaldehyde34328-46-650 % similar 3-(3-Fluorophenyl)benzaldehyde400750-09-650 % 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 2'-Trifluoromethyl-biphenyl-4-carbaldehyde198205-95-7 4'-Trifluoromethyl-biphenyl-3-carbaldehyde343604-24-0 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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