3-amino-4-(4-fluorophenyl)butanoic acid

3-amino-4-(4-fluorophenyl)butanoic acid

CAS: 682804-76-8

Formula: C10H12FNO2

SMILES: NC(CC(O)=O)CC1=CC=C(F)C=C1

IUPAC: 3-amino-4-(4-fluorophenyl)butanoic acid

InChI: InChI=1/C10H12FNO2/c11-8-3-1-7(2-4-8)5-9(12)6-10(13)14/h1-4,9H,5-6,12H2,(H,13,14)

Composition: C (60.90%), H (6.13%), F (9.63%), N (7.10%), O (16.23%)

Molar Mass: 197.209

Atom Count: 26

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	197.085206793
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MWAZHPYPJNEKID-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.96
Topological Polar Surface Area	63.32
Polarizability	19.43
Ring Count	1
Rotatable Bond Count	4

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