2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoic acid

2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoic acid

CAS: 439587-15-2

Formula: C10H9F4NO2

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

IUPAC: 2-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoic acid

InChI: InChI=1/C10H9F4NO2/c11-7-4-6(10(12,13)14)2-1-5(7)3-8(15)9(16)17/h1-2,4,8H,3,15H2,(H,16,17)

Composition: C (47.82%), H (3.61%), F (30.25%), N (5.58%), O (12.74%)

Molar Mass: 251.181

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	251.056941186
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OMTZLRBOGCVOEM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.31
Topological Polar Surface Area	63.32
Polarizability	19.03
Ring Count	1
Rotatable Bond Count	4

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