2,2-difluoro-1-piperidin-1-ylpropan-1-one

C8H13F2NO — CID 58122725

IUPAC2,2-difluoro-1-piperidin-1-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C8H13F2NO/c1-8(9,10)7(12)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyCCNUJEWWGYDCMM-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.65
Rot. Bonds1

About 2,2-difluoro-1-piperidin-1-ylpropan-1-one

2,2-difluoro-1-piperidin-1-ylpropan-1-one (PubChem CID 58122725) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2,2-difluoro-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,2-difluoro-1-piperidin-1-ylpropan-1-one
PubChem CID58122725
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2,2-difluoro-1-piperidin-1-ylpropan-1-one
SMILESCC(F)(F)C(=O)N1CCCCC1
InChIInChI=1S/C8H13F2NO/c1-8(9,10)7(12)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKeyCCNUJEWWGYDCMM-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2,2-difluoro-1-piperidin-1-ylpropan-1-one (CID 58122725) is 2,2-difluoro-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2,2-difluoro-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2,2-difluoro-1-piperidin-1-ylpropan-1-one is CC(F)(F)C(=O)N1CCCCC1.
What is the InChIKey of 2,2-difluoro-1-piperidin-1-ylpropan-1-one?
The InChIKey is CCNUJEWWGYDCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-8(9,10)7(12)11-5-3-2-4-6-11/h2-6H2,1H3.
What are the key properties of 2,2-difluoro-1-piperidin-1-ylpropan-1-one?
2,2-difluoro-1-piperidin-1-ylpropan-1-one has a molecular weight of 177.19 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 58122725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).