5-(difluoromethyl)piperidin-3-one

C6H9F2NO — CID 163370671

IUPAC5-(difluoromethyl)piperidin-3-one
SMILESO=C1CNCC(C(F)F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-5(10)3-9-2-4/h4,6,9H,1-3H2
InChIKeySQQFPWFSOBLYMU-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.43
Rot. Bonds1

About 5-(difluoromethyl)piperidin-3-one

5-(difluoromethyl)piperidin-3-one (PubChem CID 163370671) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 5-(difluoromethyl)piperidin-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)piperidin-3-one
PubChem CID163370671
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name5-(difluoromethyl)piperidin-3-one
SMILESO=C1CNCC(C(F)F)C1
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-5(10)3-9-2-4/h4,6,9H,1-3H2
InChIKeySQQFPWFSOBLYMU-UHFFFAOYSA-N
XLogP0.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)piperidin-3-one?
The IUPAC name of 5-(difluoromethyl)piperidin-3-one (CID 163370671) is 5-(difluoromethyl)piperidin-3-one.
What is the SMILES notation for 5-(difluoromethyl)piperidin-3-one?
The canonical SMILES for 5-(difluoromethyl)piperidin-3-one is O=C1CNCC(C(F)F)C1.
What is the InChIKey of 5-(difluoromethyl)piperidin-3-one?
The InChIKey is SQQFPWFSOBLYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)4-1-5(10)3-9-2-4/h4,6,9H,1-3H2.
What are the key properties of 5-(difluoromethyl)piperidin-3-one?
5-(difluoromethyl)piperidin-3-one has a molecular weight of 149.14 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)piperidin-3-one is sourced from PubChem (CID 163370671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).