1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine

C10H17F4NO2S — CID 87067713

IUPAC1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine
SMILESCC(F)(F)C(F)(F)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17F4NO2S/c1-9(11,12)10(13,14)5-8-18(16,17)15-6-3-2-4-7-15/h2-8H2,1H3
InChIKeyXIXDQUJFFBZTOK-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.48
Rot. Bonds5

About 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine

1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine (PubChem CID 87067713) has the molecular formula C10H17F4NO2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine
PubChem CID87067713
Molecular FormulaC10H17F4NO2S
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine
SMILESCC(F)(F)C(F)(F)CCS(=O)(=O)N1CCCCC1
InChIInChI=1S/C10H17F4NO2S/c1-9(11,12)10(13,14)5-8-18(16,17)15-6-3-2-4-7-15/h2-8H2,1H3
InChIKeyXIXDQUJFFBZTOK-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine?
The IUPAC name of 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine (CID 87067713) is 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine.
What is the SMILES notation for 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine?
The canonical SMILES for 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine is CC(F)(F)C(F)(F)CCS(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine?
The InChIKey is XIXDQUJFFBZTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2S/c1-9(11,12)10(13,14)5-8-18(16,17)15-6-3-2-4-7-15/h2-8H2,1H3.
What are the key properties of 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine?
1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine has a molecular weight of 291.31 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,4,4-tetrafluoropentylsulfonyl)piperidine is sourced from PubChem (CID 87067713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).