(2S)-2-amino-4-(2,6-difluorophenyl)butanoic acid

(2S)-2-amino-4-(2,6-difluorophenyl)butanoic acid

CAS: 1260587-55-0

Formula: C10H11F2NO2

SMILES: N[C@@H](CCC1=C(F)C=CC=C1F)C(O)=O

IUPAC: (2S)-2-amino-4-(2,6-difluorophenyl)butanoic acid

InChI: InChI=1S/C10H11F2NO2/c11-7-2-1-3-8(12)6(7)4-5-9(13)10(14)15/h1-3,9H,4-5,13H2,(H,14,15)/t9-/m0/s1

Composition: C (55.81%), H (5.15%), F (17.66%), N (6.51%), O (14.87%)

Molar Mass: 215.2

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	215.075784924
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OWSJVBLJVRUDJX-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.15
Topological Polar Surface Area	63.32
Polarizability	19.21
Ring Count	1
Rotatable Bond Count	4

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Acrotein ChemBio Inc.,

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