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2-amino-4,4,4-trifluorobutanoic acid

2-amino-4,4,4-trifluorobutanoic acid

CAS: 15959-93-0

Formula: C4H6F3NO2

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

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

InChI: InChI=1/C4H6F3NO2/c5-4(6,7)1-2(8)3(9)10/h2H,1,8H2,(H,9,10)

Composition: C (30.58%), H (3.85%), F (36.28%), N (8.92%), O (20.37%)

Molar Mass: 157.092

Atom Count: 16

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 157.035062926
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey AQPCXCOPDSEKQT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 25.65
Topological Polar Surface Area 63.32
Polarizability 10.01
Ring Count 0
Rotatable Bond Count 3

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