5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one

C12H13F5N2O — CID 163238045

IUPAC5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1ccc(C2CNCCC2(F)F)cn1CC(F)(F)F
InChIInChI=1S/C12H13F5N2O/c13-11(14)3-4-18-5-9(11)8-1-2-10(20)19(6-8)7-12(15,16)17/h1-2,6,9,18H,3-5,7H2
InChIKeyILIGXGNLPZCSND-UHFFFAOYSA-N
MW296.24 g/mol
LogP2.12
Rot. Bonds2

About 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one

5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (PubChem CID 163238045) has the molecular formula C12H13F5N2O and a molecular weight of 296.24 g/mol. Its IUPAC name is 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
PubChem CID163238045
Molecular FormulaC12H13F5N2O
Molecular Weight296.24 g/mol
Exact Mass296.09
IUPAC Name5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one
SMILESO=c1ccc(C2CNCCC2(F)F)cn1CC(F)(F)F
InChIInChI=1S/C12H13F5N2O/c13-11(14)3-4-18-5-9(11)8-1-2-10(20)19(6-8)7-12(15,16)17/h1-2,6,9,18H,3-5,7H2
InChIKeyILIGXGNLPZCSND-UHFFFAOYSA-N
XLogP2.12
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The IUPAC name of 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one (CID 163238045) is 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one.
What is the SMILES notation for 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The canonical SMILES for 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is O=c1ccc(C2CNCCC2(F)F)cn1CC(F)(F)F.
What is the InChIKey of 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
The InChIKey is ILIGXGNLPZCSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F5N2O/c13-11(14)3-4-18-5-9(11)8-1-2-10(20)19(6-8)7-12(15,16)17/h1-2,6,9,18H,3-5,7H2.
What are the key properties of 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one?
5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one has a molecular weight of 296.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoropiperidin-3-yl)-1-(2,2,2-trifluoroethyl)pyridin-2-one is sourced from PubChem (CID 163238045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).