1-(5,5-difluoropiperidin-3-yl)ethanone

C7H11F2NO — CID 121485777

IUPAC1-(5,5-difluoropiperidin-3-yl)ethanone
SMILESCC(=O)C1CNCC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-5(11)6-2-7(8,9)4-10-3-6/h6,10H,2-4H2,1H3
InChIKeySVDTVRJUSHUQBH-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.82
Rot. Bonds1

About 1-(5,5-difluoropiperidin-3-yl)ethanone

1-(5,5-difluoropiperidin-3-yl)ethanone (PubChem CID 121485777) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 1-(5,5-difluoropiperidin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-difluoropiperidin-3-yl)ethanone
PubChem CID121485777
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name1-(5,5-difluoropiperidin-3-yl)ethanone
SMILESCC(=O)C1CNCC(F)(F)C1
InChIInChI=1S/C7H11F2NO/c1-5(11)6-2-7(8,9)4-10-3-6/h6,10H,2-4H2,1H3
InChIKeySVDTVRJUSHUQBH-UHFFFAOYSA-N
XLogP0.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoropiperidin-3-yl)ethanone?
The IUPAC name of 1-(5,5-difluoropiperidin-3-yl)ethanone (CID 121485777) is 1-(5,5-difluoropiperidin-3-yl)ethanone.
What is the SMILES notation for 1-(5,5-difluoropiperidin-3-yl)ethanone?
The canonical SMILES for 1-(5,5-difluoropiperidin-3-yl)ethanone is CC(=O)C1CNCC(F)(F)C1.
What is the InChIKey of 1-(5,5-difluoropiperidin-3-yl)ethanone?
The InChIKey is SVDTVRJUSHUQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-5(11)6-2-7(8,9)4-10-3-6/h6,10H,2-4H2,1H3.
What are the key properties of 1-(5,5-difluoropiperidin-3-yl)ethanone?
1-(5,5-difluoropiperidin-3-yl)ethanone has a molecular weight of 163.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoropiperidin-3-yl)ethanone is sourced from PubChem (CID 121485777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).