2-amino-4,4-difluorobutanoic acid

2-amino-4,4-difluorobutanoic acid

CAS: 107910-31-6

Formula: C4H7F2NO2

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

IUPAC: 2-amino-4,4-difluorobutanoic acid

InChI: InChI=1/C4H7F2NO2/c5-3(6)1-2(7)4(8)9/h2-3H,1,7H2,(H,8,9)

Composition: C (34.54%), H (5.07%), F (27.32%), N (10.07%), O (23.00%)

Molar Mass: 139.102

Atom Count: 16

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	139.044484795
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VIUCNIMDPZQXAD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	24.76
Topological Polar Surface Area	63.32
Polarizability	9.98
Ring Count	0
Rotatable Bond Count	3

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