3-amino-3-(2,4-difluorophenyl)propanoic acid

3-amino-3-(2,4-difluorophenyl)propanoic acid

CAS: 412925-23-6

Formula: C9H9F2NO2

SMILES: NC(CC(O)=O)C1=CC=C(F)C=C1F

IUPAC: 3-amino-3-(2,4-difluorophenyl)propanoic acid

InChI: InChI=1/C9H9F2NO2/c10-5-1-2-6(7(11)3-5)8(12)4-9(13)14/h1-3,8H,4,12H2,(H,13,14)

Composition: C (53.73%), H (4.51%), F (18.89%), N (6.96%), O (15.91%)

Molar Mass: 201.173

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	201.06013486
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RXNSEGYWKJUNMR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.42
Topological Polar Surface Area	63.32
Polarizability	17.4
Ring Count	1
Rotatable Bond Count	3

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