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4-hydroxy-4-(trifluoromethyl)piperidin-2-one

4-hydroxy-4-(trifluoromethyl)piperidin-2-one

CAS: 2416145-92-9

Formula: C6H8F3NO2

SMILES: OC1(CCNC(=O)C1)C(F)(F)F

IUPAC: 4-hydroxy-4-(trifluoromethyl)piperidin-2-one

InChI: InChI=1/C6H8F3NO2/c7-6(8,9)5(12)1-2-10-4(11)3-5/h12H,1-3H2,(H,10,11)

Composition: C (39.35%), H (4.40%), F (31.12%), N (7.65%), O (17.47%)

Molar Mass: 183.13

Atom Count: 20

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 183.050712991
Formal Charge 0
FSP3 0.83
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey AYPCMTDYLDCERN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 33.67
Topological Polar Surface Area 49.33
Polarizability 12.66
Ring Count 1
Rotatable Bond Count 1

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95% <2 Days 2416145-92-9 $227.70-$5,612.00$227.70$342.70$572.70$966.00$1,587.00$5,612.00
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