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1-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-2-one

1-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-2-one

CAS: 1257665-19-2

Formula: C12H11BrF3NO

SMILES: FC(F)(F)C1=CC=C(Br)C(=C1)N1CCCCC1=O

IUPAC: 1-[2-bromo-5-(trifluoromethyl)phenyl]piperidin-2-one

InChI: InChI=1S/C12H11BrF3NO/c13-9-5-4-8(12(14,15)16)7-10(9)17-6-2-1-3-11(17)18/h4-5,7H,1-3,6H2

Composition: C (44.74%), H (3.44%), Br (24.81%), F (17.69%), N (4.35%), O (4.97%)

Molar Mass: 322.125

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 320.997611
Formal Charge 0
FSP3 0.42
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ZUXYXQMGYJUMLU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.13
Topological Polar Surface Area 20.31
Polarizability 24.22
Ring Count 2
Rotatable Bond Count 2

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