6-fluoro-6-methylpiperidin-3-one

C6H10FNO — CID 174899088

IUPAC6-fluoro-6-methylpiperidin-3-one
SMILESCC1(F)CCC(=O)CN1
InChIInChI=1S/C6H10FNO/c1-6(7)3-2-5(9)4-8-6/h8H,2-4H2,1H3
InChIKeyADCJYUFBWGVVLF-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.62
Rot. Bonds

About 6-fluoro-6-methylpiperidin-3-one

6-fluoro-6-methylpiperidin-3-one (PubChem CID 174899088) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 6-fluoro-6-methylpiperidin-3-one.

Molecular Properties

Compound Name6-fluoro-6-methylpiperidin-3-one
PubChem CID174899088
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name6-fluoro-6-methylpiperidin-3-one
SMILESCC1(F)CCC(=O)CN1
InChIInChI=1S/C6H10FNO/c1-6(7)3-2-5(9)4-8-6/h8H,2-4H2,1H3
InChIKeyADCJYUFBWGVVLF-UHFFFAOYSA-N
XLogP0.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.62
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

9-oxa-1-azaspiro[5.5]undecan-3-one
CID 155894731
4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
4,4,7,7-tetramethylcyclononan-1-one
CID 21241719
4-fluoro-4-propan-2-ylcyclohexan-1-one
CID 155319933
1-azaspiro[2.5]octan-6-one
CID 141436270
cyclopropanone;ethane
CID 90860291
2,2-difluoro-1-methylspiro[2.5]octan-6-one
CID 126845220
5,5-dimethylazepan-3-one
CID 82594303
1-methoxy-2,2,8,8-tetramethylazocan-5-one
CID 122680753
1-[(1-fluoro-4-oxocyclohexyl)methyl]-5,5-dimethylimidazolidine-2,4-dione
CID 171536643
8-methyl-1,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 115023776
potassium trifluoro-(1-methyl-3-oxocyclopentyl)boranuide
CID 154710074

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-methylpiperidin-3-one?
The IUPAC name of 6-fluoro-6-methylpiperidin-3-one (CID 174899088) is 6-fluoro-6-methylpiperidin-3-one.
What is the SMILES notation for 6-fluoro-6-methylpiperidin-3-one?
The canonical SMILES for 6-fluoro-6-methylpiperidin-3-one is CC1(F)CCC(=O)CN1.
What is the InChIKey of 6-fluoro-6-methylpiperidin-3-one?
The InChIKey is ADCJYUFBWGVVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-6(7)3-2-5(9)4-8-6/h8H,2-4H2,1H3.
What are the key properties of 6-fluoro-6-methylpiperidin-3-one?
6-fluoro-6-methylpiperidin-3-one has a molecular weight of 131.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-methylpiperidin-3-one is sourced from PubChem (CID 174899088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).