6-(difluoromethyl)piperidin-2-one

C6H9F2NO — CID 20543338

IUPAC6-(difluoromethyl)piperidin-2-one
SMILESO=C1CCCC(C(F)F)N1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-2-1-3-5(10)9-4/h4,6H,1-3H2,(H,9,10)
InChIKeySLQVGNBYMOYIIW-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.92
Rot. Bonds1

About 6-(difluoromethyl)piperidin-2-one

6-(difluoromethyl)piperidin-2-one (PubChem CID 20543338) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 6-(difluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name6-(difluoromethyl)piperidin-2-one
PubChem CID20543338
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name6-(difluoromethyl)piperidin-2-one
SMILESO=C1CCCC(C(F)F)N1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-2-1-3-5(10)9-4/h4,6H,1-3H2,(H,9,10)
InChIKeySLQVGNBYMOYIIW-UHFFFAOYSA-N
XLogP0.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)piperidin-2-one?
The IUPAC name of 6-(difluoromethyl)piperidin-2-one (CID 20543338) is 6-(difluoromethyl)piperidin-2-one.
What is the SMILES notation for 6-(difluoromethyl)piperidin-2-one?
The canonical SMILES for 6-(difluoromethyl)piperidin-2-one is O=C1CCCC(C(F)F)N1.
What is the InChIKey of 6-(difluoromethyl)piperidin-2-one?
The InChIKey is SLQVGNBYMOYIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)4-2-1-3-5(10)9-4/h4,6H,1-3H2,(H,9,10).
What are the key properties of 6-(difluoromethyl)piperidin-2-one?
6-(difluoromethyl)piperidin-2-one has a molecular weight of 149.14 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)piperidin-2-one is sourced from PubChem (CID 20543338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).