5-(2,2-difluoroethenyl)piperidin-3-one

C7H9F2NO — CID 163908024

IUPAC5-(2,2-difluoroethenyl)piperidin-3-one
SMILESO=C1CNCC(C=C(F)F)C1
InChIInChI=1S/C7H9F2NO/c8-7(9)2-5-1-6(11)4-10-3-5/h2,5,10H,1,3-4H2
InChIKeyQPROETZVHPZLGM-UHFFFAOYSA-N
MW161.15 g/mol
LogP0.95
Rot. Bonds1

About 5-(2,2-difluoroethenyl)piperidin-3-one

5-(2,2-difluoroethenyl)piperidin-3-one (PubChem CID 163908024) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 5-(2,2-difluoroethenyl)piperidin-3-one.

Molecular Properties

Compound Name5-(2,2-difluoroethenyl)piperidin-3-one
PubChem CID163908024
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name5-(2,2-difluoroethenyl)piperidin-3-one
SMILESO=C1CNCC(C=C(F)F)C1
InChIInChI=1S/C7H9F2NO/c8-7(9)2-5-1-6(11)4-10-3-5/h2,5,10H,1,3-4H2
InChIKeyQPROETZVHPZLGM-UHFFFAOYSA-N
XLogP0.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Trifluoromethyl)piperidin-3-one
CID 145864830
(5R)-5-(trifluoromethyl)piperidin-3-one
CID 162403220
5-(Difluoromethyl)piperidin-3-one
CID 163370671
1-Piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-one
CID 130564987
(5R)-5-(difluoromethyl)piperidin-3-one
CID 154470363
5-(Trifluoromethyl)piperidin-3-one hydrochloride
CID 162422267
5-Ethenylpiperidin-3-one
CID 56972738

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-difluoroethenyl)piperidin-3-one?
The IUPAC name of 5-(2,2-difluoroethenyl)piperidin-3-one (CID 163908024) is 5-(2,2-difluoroethenyl)piperidin-3-one.
What is the SMILES notation for 5-(2,2-difluoroethenyl)piperidin-3-one?
The canonical SMILES for 5-(2,2-difluoroethenyl)piperidin-3-one is O=C1CNCC(C=C(F)F)C1.
What is the InChIKey of 5-(2,2-difluoroethenyl)piperidin-3-one?
The InChIKey is QPROETZVHPZLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)2-5-1-6(11)4-10-3-5/h2,5,10H,1,3-4H2.
What are the key properties of 5-(2,2-difluoroethenyl)piperidin-3-one?
5-(2,2-difluoroethenyl)piperidin-3-one has a molecular weight of 161.15 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-difluoroethenyl)piperidin-3-one is sourced from PubChem (CID 163908024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).