methyl (2S)-2-amino-4,4-difluorobutanoate

methyl (2S)-2-amino-4,4-difluorobutanoate

CAS: 607403-55-4

Formula: C5H9F2NO2

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

IUPAC: methyl (2S)-2-amino-4,4-difluorobutanoate

InChI: InChI=1S/C5H9F2NO2/c1-10-5(9)3(8)2-4(6)7/h3-4H,2,8H2,1H3/t3-/m0/s1

Composition: C (39.22%), H (5.92%), F (24.81%), N (9.15%), O (20.90%)

Molar Mass: 153.129

Atom Count: 19

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	153.06013486
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XPDDUHZHOWSLCC-VKHMYHEASA-N
Lipinski's Rule of Five	1
Molar Refractivity	29.53
Topological Polar Surface Area	52.32
Polarizability	11.96
Ring Count	0
Rotatable Bond Count	4

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