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1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one

1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one

CAS: 937604-44-9

Formula: C10H10F3N3O

SMILES: FC(F)(F)C1=NC(=NC=C1)N1CCC(=O)CC1

IUPAC: 1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-one

InChI: InChI=1S/C10H10F3N3O/c11-10(12,13)8-1-4-14-9(15-8)16-5-2-7(17)3-6-16/h1,4H,2-3,5-6H2

Composition: C (48.98%), H (4.11%), F (23.24%), N (17.14%), O (6.52%)

Molar Mass: 245.205

Atom Count: 27

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 245.077596443
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey LRQIUBQSDLJYKI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.17
Topological Polar Surface Area 46.09
Polarizability 19.57
Ring Count 2
Rotatable Bond Count 2

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95% <2 Days 937604-44-9 $51.35-$180.26$51.35$63.37$86.31$113.62$180.26
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