5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

C13H15F5N2O — CID 171826361

IUPAC5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CCC(F)(F)CC2)c[nH]1
InChIInChI=1S/C13H15F5N2O/c14-12(15)2-5-20(6-3-12)4-1-9-8-19-11(21)7-10(9)13(16,17)18/h7-8H,1-6H2,(H,19,21)
InChIKeyGNNOYFYESCXCMN-UHFFFAOYSA-N
MW310.27 g/mol
LogP2.67
Rot. Bonds3

About 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one

5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171826361) has the molecular formula C13H15F5N2O and a molecular weight of 310.27 g/mol. Its IUPAC name is 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID171826361
Molecular FormulaC13H15F5N2O
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1cc(C(F)(F)F)c(CCN2CCC(F)(F)CC2)c[nH]1
InChIInChI=1S/C13H15F5N2O/c14-12(15)2-5-20(6-3-12)4-1-9-8-19-11(21)7-10(9)13(16,17)18/h7-8H,1-6H2,(H,19,21)
InChIKeyGNNOYFYESCXCMN-UHFFFAOYSA-N
XLogP2.67
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one (CID 171826361) is 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is O=c1cc(C(F)(F)F)c(CCN2CCC(F)(F)CC2)c[nH]1.
What is the InChIKey of 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GNNOYFYESCXCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F5N2O/c14-12(15)2-5-20(6-3-12)4-1-9-8-19-11(21)7-10(9)13(16,17)18/h7-8H,1-6H2,(H,19,21).
What are the key properties of 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one?
5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 310.27 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171826361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).