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4-[4-amino-2-(trifluoromethyl)phenyl]morpholin-3-one

4-[4-amino-2-(trifluoromethyl)phenyl]morpholin-3-one

CAS: 482308-08-7

Formula: C11H11F3N2O2

SMILES: NC1=CC(=C(C=C1)N1CCOCC1=O)C(F)(F)F

IUPAC: 4-[4-amino-2-(trifluoromethyl)phenyl]morpholin-3-one

InChI: InChI=1S/C11H11F3N2O2/c12-11(13,14)8-5-7(15)1-2-9(8)16-3-4-18-6-10(16)17/h1-2,5H,3-4,6,15H2

Composition: C (50.77%), H (4.26%), F (21.90%), N (10.77%), O (12.30%)

Molar Mass: 260.216

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 260.077262091
Formal Charge 0
FSP3 0.36
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey VSBLPKFRZOWFSZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.2
Topological Polar Surface Area 55.56
Polarizability 21.29
Ring Count 2
Rotatable Bond Count 2

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