6-fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

6-fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

CAS: 1261772-16-0

Formula: C14H8F4O2

SMILES: OC(=O)C1=CC=C(F)C(=C1)C1=CC=C(C=C1)C(F)(F)F

IUPAC: 6-fluoro-4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C14H8F4O2/c15-12-6-3-9(13(19)20)7-11(12)8-1-4-10(5-2-8)14(16,17)18/h1-7H,(H,19,20)

Composition: C (59.17%), H (2.84%), F (26.74%), O (11.26%)

Molar Mass: 284.21

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.04604215
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	OJPQFNKVFUCGPT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.64
Topological Polar Surface Area	37.3
Polarizability	24.39
Ring Count	2
Rotatable Bond Count	3

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