4-fluoro-4-prop-2-enylsulfonylpiperidine

C8H14FNO2S — CID 174484754

IUPAC4-fluoro-4-prop-2-enylsulfonylpiperidine
SMILESC=CCS(=O)(=O)C1(F)CCNCC1
InChIInChI=1S/C8H14FNO2S/c1-2-7-13(11,12)8(9)3-5-10-6-4-8/h2,10H,1,3-7H2
InChIKeyGKLBXBDTANYLOB-UHFFFAOYSA-N
MW207.27 g/mol
LogP0.64
Rot. Bonds3

About 4-fluoro-4-prop-2-enylsulfonylpiperidine

4-fluoro-4-prop-2-enylsulfonylpiperidine (PubChem CID 174484754) has the molecular formula C8H14FNO2S and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-fluoro-4-prop-2-enylsulfonylpiperidine.

Molecular Properties

Compound Name4-fluoro-4-prop-2-enylsulfonylpiperidine
PubChem CID174484754
Molecular FormulaC8H14FNO2S
Molecular Weight207.27 g/mol
Exact Mass207.07
IUPAC Name4-fluoro-4-prop-2-enylsulfonylpiperidine
SMILESC=CCS(=O)(=O)C1(F)CCNCC1
InChIInChI=1S/C8H14FNO2S/c1-2-7-13(11,12)8(9)3-5-10-6-4-8/h2,10H,1,3-7H2
InChIKeyGKLBXBDTANYLOB-UHFFFAOYSA-N
XLogP0.64
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-fluoro-4-prop-2-enylsulfonylpiperidine with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-Fluoroethylsulfonyl)piperidine
CID 84666246
3-(2-Fluoroethylsulfonyl)piperidine
CID 84666247
4-(2-Fluoropropylsulfonyl)piperidine
CID 84677091
4-(3-Fluoropropylsulfonyl)piperidine
CID 84677092
3-(2-Fluoropropylsulfonyl)piperidine
CID 84677093
3-(3-Fluoropropylsulfonyl)piperidine
CID 84677094
4-(3-Fluorobutylsulfonyl)piperidine
CID 84688622
3-(3-Fluorobutylsulfonyl)piperidine
CID 84688624
4-(3,3-Difluoropropylsulfonyl)piperidine
CID 84691207
3-(3,3-Difluoropropylsulfonyl)piperidine
CID 84691209
4-Ethenylsulfonylpiperidine
CID 19797806
4-Prop-2-enylsulfonylpiperidine
CID 82181327

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-prop-2-enylsulfonylpiperidine?
The IUPAC name of 4-fluoro-4-prop-2-enylsulfonylpiperidine (CID 174484754) is 4-fluoro-4-prop-2-enylsulfonylpiperidine.
What is the SMILES notation for 4-fluoro-4-prop-2-enylsulfonylpiperidine?
The canonical SMILES for 4-fluoro-4-prop-2-enylsulfonylpiperidine is C=CCS(=O)(=O)C1(F)CCNCC1.
What is the InChIKey of 4-fluoro-4-prop-2-enylsulfonylpiperidine?
The InChIKey is GKLBXBDTANYLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2S/c1-2-7-13(11,12)8(9)3-5-10-6-4-8/h2,10H,1,3-7H2.
What are the key properties of 4-fluoro-4-prop-2-enylsulfonylpiperidine?
4-fluoro-4-prop-2-enylsulfonylpiperidine has a molecular weight of 207.27 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-prop-2-enylsulfonylpiperidine is sourced from PubChem (CID 174484754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).