1-(3,3-difluoropropyl)piperidin-4-one

C8H13F2NO — CID 18740965

IUPAC1-(3,3-difluoropropyl)piperidin-4-one
SMILESO=C1CCN(CCC(F)F)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)3-6-11-4-1-7(12)2-5-11/h8H,1-6H2
InChIKeyAZHWTMCIZPFHHZ-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.31
Rot. Bonds3

About 1-(3,3-difluoropropyl)piperidin-4-one

1-(3,3-difluoropropyl)piperidin-4-one (PubChem CID 18740965) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(3,3-difluoropropyl)piperidin-4-one.

Molecular Properties

Compound Name1-(3,3-difluoropropyl)piperidin-4-one
PubChem CID18740965
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(3,3-difluoropropyl)piperidin-4-one
SMILESO=C1CCN(CCC(F)F)CC1
InChIInChI=1S/C8H13F2NO/c9-8(10)3-6-11-4-1-7(12)2-5-11/h8H,1-6H2
InChIKeyAZHWTMCIZPFHHZ-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-4-piperidone
CID 89995
1-Propyl-4-piperidone
CID 90006
4-(Piperidin-1-yl)butan-2-one
CID 414358
1-(Trifluoroacetyl)piperidin-4-one
CID 15080943
1-(Piperidin-1-yl)pentan-3-one
CID 13224768
1-(2,2,2-Trifluoroethyl)piperidin-4-one
CID 17840009
1-(2,2-Difluoroethyl)piperidin-4-one
CID 47002711
1-(2,2,2-Trifluoroethyl)piperidin-3-one
CID 81716293
1-(2-Fluoropropyl)piperidin-4-one
CID 101432304
N-ethyl-N-methyl-4-oxo-piperidinium
CID 11097569
1-(1,2,2-Trifluoroethyl)piperidin-4-one
CID 17840010
3-Piperidin-1-ylpropanoyl fluoride
CID 22719501

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoropropyl)piperidin-4-one?
The IUPAC name of 1-(3,3-difluoropropyl)piperidin-4-one (CID 18740965) is 1-(3,3-difluoropropyl)piperidin-4-one.
What is the SMILES notation for 1-(3,3-difluoropropyl)piperidin-4-one?
The canonical SMILES for 1-(3,3-difluoropropyl)piperidin-4-one is O=C1CCN(CCC(F)F)CC1.
What is the InChIKey of 1-(3,3-difluoropropyl)piperidin-4-one?
The InChIKey is AZHWTMCIZPFHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)3-6-11-4-1-7(12)2-5-11/h8H,1-6H2.
What are the key properties of 1-(3,3-difluoropropyl)piperidin-4-one?
1-(3,3-difluoropropyl)piperidin-4-one has a molecular weight of 177.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoropropyl)piperidin-4-one is sourced from PubChem (CID 18740965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).