3-amino-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanoic acid

3-amino-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanoic acid

CAS: 773122-82-0

Formula: C11H11F4NO3

SMILES: NC(CC(O)=O)C1=CC=C(OC(F)(F)C(F)F)C=C1

IUPAC: 3-amino-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propanoic acid

InChI: InChI=1/C11H11F4NO3/c12-10(13)11(14,15)19-7-3-1-6(2-4-7)8(16)5-9(17)18/h1-4,8,10H,5,16H2,(H,17,18)

Composition: C (46.98%), H (3.94%), F (27.02%), N (4.98%), O (17.07%)

Molar Mass: 281.207

Atom Count: 30

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	281.06750587
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZKIPZALFUXLQFB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.57
Topological Polar Surface Area	72.55
Polarizability	21.62
Ring Count	1
Rotatable Bond Count	6

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