(2S)-2-amino-3-(2,3,6-trifluorophenyl)propanoic acid

(2S)-2-amino-3-(2,3,6-trifluorophenyl)propanoic acid

CAS: 873429-60-8

Formula: C9H8F3NO2

SMILES: N[C@@H](CC1=C(F)C=CC(F)=C1F)C(O)=O

IUPAC: (2S)-2-amino-3-(2,3,6-trifluorophenyl)propanoic acid

InChI: InChI=1S/C9H8F3NO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-2,7H,3,13H2,(H,14,15)/t7-/m0/s1

Composition: C (49.32%), H (3.68%), F (26.01%), N (6.39%), O (14.60%)

Molar Mass: 219.163

Atom Count: 23

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	219.050712991
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DRQCAEOUDQSPEF-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.77
Topological Polar Surface Area	63.32
Polarizability	17.26
Ring Count	1
Rotatable Bond Count	3

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