4-(2-fluorophenyl)oxane-4-carboxylic acid

4-(2-fluorophenyl)oxane-4-carboxylic acid

CAS: 889939-77-9

Formula: C12H13FO3

SMILES: OC(=O)C1(CCOCC1)C1=C(F)C=CC=C1

IUPAC: 4-(2-fluorophenyl)oxane-4-carboxylic acid

InChI: InChI=1S/C12H13FO3/c13-10-4-2-1-3-9(10)12(11(14)15)5-7-16-8-6-12/h1-4H,5-8H2,(H,14,15)

Composition: C (64.28%), H (5.84%), F (8.47%), O (21.41%)

Molar Mass: 224.231

Atom Count: 29

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	224.084872442
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NRKNYZPHABISIQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.21
Topological Polar Surface Area	46.53
Polarizability	21.58
Ring Count	2
Rotatable Bond Count	2

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