2-fluoro-2-methylsulfonylpiperidine

C6H12FNO2S — CID 91437835

IUPAC2-fluoro-2-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1(F)CCCCN1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6(7)4-2-3-5-8-6/h8H,2-5H2,1H3
InChIKeySFYFDFCZGKJQFY-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.43
Rot. Bonds1

About 2-fluoro-2-methylsulfonylpiperidine

2-fluoro-2-methylsulfonylpiperidine (PubChem CID 91437835) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-fluoro-2-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-fluoro-2-methylsulfonylpiperidine
PubChem CID91437835
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name2-fluoro-2-methylsulfonylpiperidine
SMILESCS(=O)(=O)C1(F)CCCCN1
InChIInChI=1S/C6H12FNO2S/c1-11(9,10)6(7)4-2-3-5-8-6/h8H,2-5H2,1H3
InChIKeySFYFDFCZGKJQFY-UHFFFAOYSA-N
XLogP0.43
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methylsulfonylpiperidine?
The IUPAC name of 2-fluoro-2-methylsulfonylpiperidine (CID 91437835) is 2-fluoro-2-methylsulfonylpiperidine.
What is the SMILES notation for 2-fluoro-2-methylsulfonylpiperidine?
The canonical SMILES for 2-fluoro-2-methylsulfonylpiperidine is CS(=O)(=O)C1(F)CCCCN1.
What is the InChIKey of 2-fluoro-2-methylsulfonylpiperidine?
The InChIKey is SFYFDFCZGKJQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c1-11(9,10)6(7)4-2-3-5-8-6/h8H,2-5H2,1H3.
What are the key properties of 2-fluoro-2-methylsulfonylpiperidine?
2-fluoro-2-methylsulfonylpiperidine has a molecular weight of 181.23 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methylsulfonylpiperidine is sourced from PubChem (CID 91437835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).