3-fluoro-1-octylsulfonylpyrrolidine

C12H24FNO2S — CID 131966898

IUPAC3-fluoro-1-octylsulfonylpyrrolidine
SMILESCCCCCCCCS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C12H24FNO2S/c1-2-3-4-5-6-7-10-17(15,16)14-9-8-12(13)11-14/h12H,2-11H2,1H3
InChIKeyGNBLKQKQOWALKA-UHFFFAOYSA-N
MW265.39 g/mol
LogP2.72
Rot. Bonds8

About 3-fluoro-1-octylsulfonylpyrrolidine

3-fluoro-1-octylsulfonylpyrrolidine (PubChem CID 131966898) has the molecular formula C12H24FNO2S and a molecular weight of 265.39 g/mol. Its IUPAC name is 3-fluoro-1-octylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-octylsulfonylpyrrolidine
PubChem CID131966898
Molecular FormulaC12H24FNO2S
Molecular Weight265.39 g/mol
Exact Mass265.15
IUPAC Name3-fluoro-1-octylsulfonylpyrrolidine
SMILESCCCCCCCCS(=O)(=O)N1CCC(F)C1
InChIInChI=1S/C12H24FNO2S/c1-2-3-4-5-6-7-10-17(15,16)14-9-8-12(13)11-14/h12H,2-11H2,1H3
InChIKeyGNBLKQKQOWALKA-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-octylsulfonylpyrrolidine?
The IUPAC name of 3-fluoro-1-octylsulfonylpyrrolidine (CID 131966898) is 3-fluoro-1-octylsulfonylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-octylsulfonylpyrrolidine?
The canonical SMILES for 3-fluoro-1-octylsulfonylpyrrolidine is CCCCCCCCS(=O)(=O)N1CCC(F)C1.
What is the InChIKey of 3-fluoro-1-octylsulfonylpyrrolidine?
The InChIKey is GNBLKQKQOWALKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO2S/c1-2-3-4-5-6-7-10-17(15,16)14-9-8-12(13)11-14/h12H,2-11H2,1H3.
What are the key properties of 3-fluoro-1-octylsulfonylpyrrolidine?
3-fluoro-1-octylsulfonylpyrrolidine has a molecular weight of 265.39 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-octylsulfonylpyrrolidine is sourced from PubChem (CID 131966898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).