1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine

C8H12F5NO2S — CID 67890803

IUPAC1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine
SMILESO=S(=O)(C(C(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F5NO2S/c9-7(10)6(8(11,12)13)17(15,16)14-4-2-1-3-5-14/h6-7H,1-5H2
InChIKeyWZJNNSNHODMZIB-UHFFFAOYSA-N
MW281.25 g/mol
LogP2.00
Rot. Bonds3

About 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine

1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine (PubChem CID 67890803) has the molecular formula C8H12F5NO2S and a molecular weight of 281.25 g/mol. Its IUPAC name is 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine.

Molecular Properties

Compound Name1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine
PubChem CID67890803
Molecular FormulaC8H12F5NO2S
Molecular Weight281.25 g/mol
Exact Mass281.05
IUPAC Name1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine
SMILESO=S(=O)(C(C(F)F)C(F)(F)F)N1CCCCC1
InChIInChI=1S/C8H12F5NO2S/c9-7(10)6(8(11,12)13)17(15,16)14-4-2-1-3-5-14/h6-7H,1-5H2
InChIKeyWZJNNSNHODMZIB-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)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-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine?
The IUPAC name of 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine (CID 67890803) is 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine.
What is the SMILES notation for 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine?
The canonical SMILES for 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine is O=S(=O)(C(C(F)F)C(F)(F)F)N1CCCCC1.
What is the InChIKey of 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine?
The InChIKey is WZJNNSNHODMZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO2S/c9-7(10)6(8(11,12)13)17(15,16)14-4-2-1-3-5-14/h6-7H,1-5H2.
What are the key properties of 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine?
1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine has a molecular weight of 281.25 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3-pentafluoropropan-2-ylsulfonyl)piperidine is sourced from PubChem (CID 67890803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).