3',5'-bis(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

3',5'-bis(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

CAS: 177733-57-2

Formula: C15H8F6O2

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

IUPAC: 3',5'-bis(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid

InChI: InChI=1S/C15H8F6O2/c16-14(17,18)11-5-10(6-12(7-11)15(19,20)21)8-2-1-3-9(4-8)13(22)23/h1-7H,(H,22,23)

Composition: C (53.91%), H (2.41%), F (34.11%), O (9.57%)

Molar Mass: 334.217

Atom Count: 31

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	334.042848476
Formal Charge	0
FSP3	0.13
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CQHZXIFZCHSGIU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	70.4
Topological Polar Surface Area	37.3
Polarizability	25.99
Ring Count	2
Rotatable Bond Count	4

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