3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid

CAS: 1142214-63-8

Formula: C17H21FN2O3

SMILES: CC1(C)C(C1C(=O)N1CCN(CC1)C1=C(F)C=CC=C1)C(O)=O

IUPAC: 3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid

InChI: InChI=1/C17H21FN2O3/c1-17(2)13(14(17)16(22)23)15(21)20-9-7-19(8-10-20)12-6-4-3-5-11(12)18/h3-6,13-14H,7-10H2,1-2H3,(H,22,23)

Composition: C (63.74%), H (6.61%), F (5.93%), N (8.74%), O (14.98%)

Molar Mass: 320.364

Atom Count: 44

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	320.153620707
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JNDLTSPAFDKPHR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.69
Topological Polar Surface Area	60.85
Polarizability	31.72
Ring Count	3
Rotatable Bond Count	3

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