4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine

C11H18FNO2S — CID 123796007

IUPAC4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine
SMILESCC=CC(=CC)S(=O)(=O)N1CCC(F)CC1
InChIInChI=1S/C11H18FNO2S/c1-3-5-11(4-2)16(14,15)13-8-6-10(12)7-9-13/h3-5,10H,6-9H2,1-2H3
InChIKeyOOMVAGJCSDUGME-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.23
Rot. Bonds3

About 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine

4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine (PubChem CID 123796007) has the molecular formula C11H18FNO2S and a molecular weight of 247.33 g/mol. Its IUPAC name is 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine.

Molecular Properties

Compound Name4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine
PubChem CID123796007
Molecular FormulaC11H18FNO2S
Molecular Weight247.33 g/mol
Exact Mass247.10
IUPAC Name4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine
SMILESCC=CC(=CC)S(=O)(=O)N1CCC(F)CC1
InChIInChI=1S/C11H18FNO2S/c1-3-5-11(4-2)16(14,15)13-8-6-10(12)7-9-13/h3-5,10H,6-9H2,1-2H3
InChIKeyOOMVAGJCSDUGME-UHFFFAOYSA-N
XLogP2.23
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine?
The IUPAC name of 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine (CID 123796007) is 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine.
What is the SMILES notation for 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine?
The canonical SMILES for 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine is CC=CC(=CC)S(=O)(=O)N1CCC(F)CC1.
What is the InChIKey of 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine?
The InChIKey is OOMVAGJCSDUGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO2S/c1-3-5-11(4-2)16(14,15)13-8-6-10(12)7-9-13/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine?
4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine has a molecular weight of 247.33 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hexa-2,4-dien-3-ylsulfonylpiperidine is sourced from PubChem (CID 123796007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).