6,6-bis(4-fluorophenyl)hexanoic acid

6,6-bis(4-fluorophenyl)hexanoic acid

CAS: 667936-71-2

Formula: C18H18F2O2

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

IUPAC: 6,6-bis(4-fluorophenyl)hexanoic acid

InChI: InChI=1S/C18H18F2O2/c19-15-9-5-13(6-10-15)17(3-1-2-4-18(21)22)14-7-11-16(20)12-8-14/h5-12,17H,1-4H2,(H,21,22)

Composition: C (71.04%), H (5.96%), F (12.49%), O (10.51%)

Molar Mass: 304.337

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	304.127486146
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KZVMSFVXRMZDSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	80.85
Topological Polar Surface Area	37.3
Polarizability	30.74
Ring Count	2
Rotatable Bond Count	7

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