8-(4-fluorophenyl)-8-oxooctanoic acid

8-(4-fluorophenyl)-8-oxooctanoic acid

CAS: 250603-11-3

Formula: C14H17FO3

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

IUPAC: 8-(4-fluorophenyl)-8-oxooctanoic acid

InChI: InChI=1S/C14H17FO3/c15-12-9-7-11(8-10-12)13(16)5-3-1-2-4-6-14(17)18/h7-10H,1-6H2,(H,17,18)

Composition: C (66.65%), H (6.79%), F (7.53%), O (19.02%)

Molar Mass: 252.285

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	252.11617257
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	UHWIHQHWHGDTMP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.97
Topological Polar Surface Area	54.37
Polarizability	25.32
Ring Count	1
Rotatable Bond Count	8

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