2,4-difluoropiperidin-3-one

C5H7F2NO — CID 118111057

IUPAC2,4-difluoropiperidin-3-one
SMILESO=C1C(F)CCNC1F
InChIInChI=1S/C5H7F2NO/c6-3-1-2-8-5(7)4(3)9/h3,5,8H,1-2H2
InChIKeyHAUVHWULPQGSMM-UHFFFAOYSA-N
MW135.11 g/mol
LogP0.18
Rot. Bonds

About 2,4-difluoropiperidin-3-one

2,4-difluoropiperidin-3-one (PubChem CID 118111057) has the molecular formula C5H7F2NO and a molecular weight of 135.11 g/mol. Its IUPAC name is 2,4-difluoropiperidin-3-one.

Molecular Properties

Compound Name2,4-difluoropiperidin-3-one
PubChem CID118111057
Molecular FormulaC5H7F2NO
Molecular Weight135.11 g/mol
Exact Mass135.05
IUPAC Name2,4-difluoropiperidin-3-one
SMILESO=C1C(F)CCNC1F
InChIInChI=1S/C5H7F2NO/c6-3-1-2-8-5(7)4(3)9/h3,5,8H,1-2H2
InChIKeyHAUVHWULPQGSMM-UHFFFAOYSA-N
XLogP0.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.11
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Piperidin-3-one hydrochloride
CID 22707028
Piperidin-3-one
CID 33722
5-(Trifluoromethyl)piperidin-3-one
CID 145864830
(5R)-5-(trifluoromethyl)piperidin-3-one
CID 162403220
Piperidine-3,5-dione
CID 12637126
Piperidine-3,4-dione
CID 19761154
2-(Difluoromethyl)piperidin-3-one
CID 54551227
3,3-Difluoro-4-piperidinone
CID 72207602
5,6-Difluoropiperidin-3-one
CID 90421506
2,5,6-Trifluoropiperidine-3,4-dione
CID 91331775
(4S)-4-(trifluoromethyl)piperidin-3-one
CID 96737510
4,4-Difluoro-6-methylpiperidin-3-one
CID 129208068

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoropiperidin-3-one?
The IUPAC name of 2,4-difluoropiperidin-3-one (CID 118111057) is 2,4-difluoropiperidin-3-one.
What is the SMILES notation for 2,4-difluoropiperidin-3-one?
The canonical SMILES for 2,4-difluoropiperidin-3-one is O=C1C(F)CCNC1F.
What is the InChIKey of 2,4-difluoropiperidin-3-one?
The InChIKey is HAUVHWULPQGSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO/c6-3-1-2-8-5(7)4(3)9/h3,5,8H,1-2H2.
What are the key properties of 2,4-difluoropiperidin-3-one?
2,4-difluoropiperidin-3-one has a molecular weight of 135.11 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoropiperidin-3-one is sourced from PubChem (CID 118111057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).