4,4-bis(4-fluorophenyl)butanoic acid

4,4-bis(4-fluorophenyl)butanoic acid

CAS: 20662-52-6

Formula: C16H14F2O2

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

IUPAC: 4,4-bis(4-fluorophenyl)butanoic acid

InChI: InChI=1S/C16H14F2O2/c17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2,(H,19,20)

Composition: C (69.56%), H (5.11%), F (13.75%), O (11.58%)

Molar Mass: 276.283

Atom Count: 34

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	276.096186017
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CZNWJIAAVVXYFS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.64
Topological Polar Surface Area	37.3
Polarizability	27.15
Ring Count	2
Rotatable Bond Count	5

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