1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine

C9H10F9NO2S — CID 87227498

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)19-4-2-1-3-5-19/h1-5H2
InChIKeyLPPHDAPXUCLWHP-UHFFFAOYSA-N
MW367.23 g/mol
LogP3.23
Rot. Bonds4

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine

1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine (PubChem CID 87227498) has the molecular formula C9H10F9NO2S and a molecular weight of 367.23 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine
PubChem CID87227498
Molecular FormulaC9H10F9NO2S
Molecular Weight367.23 g/mol
Exact Mass367.03
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine
SMILESO=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)19-4-2-1-3-5-19/h1-5H2
InChIKeyLPPHDAPXUCLWHP-UHFFFAOYSA-N
XLogP3.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)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-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine (CID 87227498) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine is O=S(=O)(N1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
The InChIKey is LPPHDAPXUCLWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F9NO2S/c10-6(11,8(14,15)16)7(12,13)9(17,18)22(20,21)19-4-2-1-3-5-19/h1-5H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine has a molecular weight of 367.23 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)piperidine is sourced from PubChem (CID 87227498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).