1-fluoro-6-methylpiperidin-3-one

C6H10FNO — CID 174899087

IUPAC1-fluoro-6-methylpiperidin-3-one
SMILESCC1CCC(=O)CN1F
InChIInChI=1S/C6H10FNO/c1-5-2-3-6(9)4-8(5)7/h5H,2-4H2,1H3
InChIKeyYCWCEEZIXDHWSP-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.92
Rot. Bonds

About 1-fluoro-6-methylpiperidin-3-one

1-fluoro-6-methylpiperidin-3-one (PubChem CID 174899087) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-fluoro-6-methylpiperidin-3-one.

Molecular Properties

Compound Name1-fluoro-6-methylpiperidin-3-one
PubChem CID174899087
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-fluoro-6-methylpiperidin-3-one
SMILESCC1CCC(=O)CN1F
InChIInChI=1S/C6H10FNO/c1-5-2-3-6(9)4-8(5)7/h5H,2-4H2,1H3
InChIKeyYCWCEEZIXDHWSP-UHFFFAOYSA-N
XLogP0.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methylpiperidin-3-one?
The IUPAC name of 1-fluoro-6-methylpiperidin-3-one (CID 174899087) is 1-fluoro-6-methylpiperidin-3-one.
What is the SMILES notation for 1-fluoro-6-methylpiperidin-3-one?
The canonical SMILES for 1-fluoro-6-methylpiperidin-3-one is CC1CCC(=O)CN1F.
What is the InChIKey of 1-fluoro-6-methylpiperidin-3-one?
The InChIKey is YCWCEEZIXDHWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-5-2-3-6(9)4-8(5)7/h5H,2-4H2,1H3.
What are the key properties of 1-fluoro-6-methylpiperidin-3-one?
1-fluoro-6-methylpiperidin-3-one has a molecular weight of 131.15 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methylpiperidin-3-one is sourced from PubChem (CID 174899087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).