1-(difluoromethyl)piperidin-2-one

C6H9F2NO — CID 67630804

IUPAC1-(difluoromethyl)piperidin-2-one
SMILESO=C1CCCCN1C(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)9-4-2-1-3-5(9)10/h6H,1-4H2
InChIKeyKCGNKDGECNITDD-UHFFFAOYSA-N
MW149.14 g/mol
LogP1.22
Rot. Bonds1

About 1-(difluoromethyl)piperidin-2-one

1-(difluoromethyl)piperidin-2-one (PubChem CID 67630804) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 1-(difluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)piperidin-2-one
PubChem CID67630804
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name1-(difluoromethyl)piperidin-2-one
SMILESO=C1CCCCN1C(F)F
InChIInChI=1S/C6H9F2NO/c7-6(8)9-4-2-1-3-5(9)10/h6H,1-4H2
InChIKeyKCGNKDGECNITDD-UHFFFAOYSA-N
XLogP1.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)piperidin-2-one?
The IUPAC name of 1-(difluoromethyl)piperidin-2-one (CID 67630804) is 1-(difluoromethyl)piperidin-2-one.
What is the SMILES notation for 1-(difluoromethyl)piperidin-2-one?
The canonical SMILES for 1-(difluoromethyl)piperidin-2-one is O=C1CCCCN1C(F)F.
What is the InChIKey of 1-(difluoromethyl)piperidin-2-one?
The InChIKey is KCGNKDGECNITDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)9-4-2-1-3-5(9)10/h6H,1-4H2.
What are the key properties of 1-(difluoromethyl)piperidin-2-one?
1-(difluoromethyl)piperidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 1.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)piperidin-2-one is sourced from PubChem (CID 67630804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).