1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane

C10H19F2NO2 — CID 142561958

IUPAC1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane
SMILESCCC.O=C(CO)N1CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2.C3H8/c8-7(9)2-1-3-10(5-7)6(12)4-11;1-3-2/h11H,1-5H2;3H2,1-2H3
InChIKeyVYBBALZCUZYRPD-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.65
Rot. Bonds1

About 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane

1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane (PubChem CID 142561958) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane.

Molecular Properties

Compound Name1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane
PubChem CID142561958
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane
SMILESCCC.O=C(CO)N1CCCC(F)(F)C1
InChIInChI=1S/C7H11F2NO2.C3H8/c8-7(9)2-1-3-10(5-7)6(12)4-11;1-3-2/h11H,1-5H2;3H2,1-2H3
InChIKeyVYBBALZCUZYRPD-UHFFFAOYSA-N
XLogP1.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane?
The IUPAC name of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane (CID 142561958) is 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane.
What is the SMILES notation for 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane?
The canonical SMILES for 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane is CCC.O=C(CO)N1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane?
The InChIKey is VYBBALZCUZYRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2.C3H8/c8-7(9)2-1-3-10(5-7)6(12)4-11;1-3-2/h11H,1-5H2;3H2,1-2H3.
What are the key properties of 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane?
1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane has a molecular weight of 223.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropiperidin-1-yl)-2-hydroxyethanone;propane is sourced from PubChem (CID 142561958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).