3,3-difluoro-1-piperidin-1-ylbutan-1-one

C9H15F2NO — CID 131102298

IUPAC3,3-difluoro-1-piperidin-1-ylbutan-1-one
SMILESCC(F)(F)CC(=O)N1CCCCC1
InChIInChI=1S/C9H15F2NO/c1-9(10,11)7-8(13)12-5-3-2-4-6-12/h2-7H2,1H3
InChIKeyWMDOQVCSTACPJN-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.04
Rot. Bonds2

About 3,3-difluoro-1-piperidin-1-ylbutan-1-one

3,3-difluoro-1-piperidin-1-ylbutan-1-one (PubChem CID 131102298) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3,3-difluoro-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3,3-difluoro-1-piperidin-1-ylbutan-1-one
PubChem CID131102298
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3,3-difluoro-1-piperidin-1-ylbutan-1-one
SMILESCC(F)(F)CC(=O)N1CCCCC1
InChIInChI=1S/C9H15F2NO/c1-9(10,11)7-8(13)12-5-3-2-4-6-12/h2-7H2,1H3
InChIKeyWMDOQVCSTACPJN-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-difluoro-1-piperidin-1-ylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Piperidinyl)-1-propanone
CID 26421
Piperidine, 1-fluoroacetyl-
CID 120208
2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
CID 550259
2,2,3,3,4,4,4-Heptafluoro-1-(piperidin-1-yl)butan-1-one
CID 4362103
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
1-Trifluoroacetyl piperidine
CID 5181830
N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
N-Butyrylpiperidine
CID 303141
1-Pentanoylpiperidine
CID 304071
1-[4-(2,2,2-Trifluoroethyl)-1-piperazinyl]-1-pentanone-hydrogen chloride (1/1)
CID 71782652
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N,N-di-n-Pentylheptafluorobutyramide
CID 617537

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 3,3-difluoro-1-piperidin-1-ylbutan-1-one (CID 131102298) is 3,3-difluoro-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 3,3-difluoro-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 3,3-difluoro-1-piperidin-1-ylbutan-1-one is CC(F)(F)CC(=O)N1CCCCC1.
What is the InChIKey of 3,3-difluoro-1-piperidin-1-ylbutan-1-one?
The InChIKey is WMDOQVCSTACPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-9(10,11)7-8(13)12-5-3-2-4-6-12/h2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-piperidin-1-ylbutan-1-one?
3,3-difluoro-1-piperidin-1-ylbutan-1-one has a molecular weight of 191.22 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 131102298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).