4'-Trifluoromethylbiphenyl-4-carboxylic acid

C₁₄H₉F₃O₂CAS 195457-71-7266.22 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid

Properties

Molecular formula: C₁₄H₉F₃O₂
Molar mass: 266.22 g/mol
Exact mass: 266.0555 Da
logP: 4.07Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

195457-71-7

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)O

InChIKey

JXOFQKVEGRNGLD-UHFFFAOYSA-N

InChI

InChI=1S/C14H9F3O2/c15-14(16,17)12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(18)19/h1-8H,(H,18,19)

Weigh it out

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

Names and synonyms

1 names

4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid

Work with 4'-Trifluoromethylbiphenyl-4-carboxylic acid

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

4-(Trifluoromethyl)benzoic acid455-24-389 % similar [P-Terphenyl]-4,4''-dicarboxylic acid13653-84-467 % similar [1,1′-Biphenyl]-4,4′-dicarboxylic acid787-70-267 % similar 4'-tert-Butyl[1,1'-biphenyl]-4-carboxylic acid5748-42-564 % similar 2,2-Bis(4-carboxyphenyl)hexafluoropropane1171-47-761 % similar [1,1':3',1'':3'',1'''-Quaterphenyl]-4,4'''-dicarboxylic acid,5',5''-bis(4-carboxyphenyl)-1383925-31-260 % similar Tetrakis(4-carboxyphenyl)methane160248-28-260 % similar 4',4'',4''',4''''-(Ethene-1,1,2,2-tetrayl)tetrabiphenyl-4-carboxylic acid1610858-96-260 % similar

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

Same formula

2'-Trifluoromethyl-biphenyl-3-carboxylic acid168618-48-2 3'-Trifluoromethylbiphenyl-3-carboxylic acid168619-05-4 3'-Trifluoromethylbiphenyl-4-carboxylic acid195457-70-6 2'-Trifluoromethylbiphenyl-4-carboxylic acid198205-79-7 4'-Trifluoromethyl-biphenyl-3-carboxylic acid199528-28-4 3-[3-(Trifluoromethyl)phenoxy]benzaldehyde78725-46-9 4′-(Trifluoromethyl)[1,1′-biphenyl]-2-carboxylic acid84392-17-6 4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione893-33-4

Elsewhere

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