4-ethylsulfonyl-1-(2-fluoroethyl)piperidine

C9H18FNO2S — CID 123535747

IUPAC4-ethylsulfonyl-1-(2-fluoroethyl)piperidine
SMILESCCS(=O)(=O)C1CCN(CCF)CC1
InChIInChI=1S/C9H18FNO2S/c1-2-14(12,13)9-3-6-11(7-4-9)8-5-10/h9H,2-8H2,1H3
InChIKeyVZZKEKDNGBEOIM-UHFFFAOYSA-N
MW223.31 g/mol
LogP0.86
Rot. Bonds4

About 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine

4-ethylsulfonyl-1-(2-fluoroethyl)piperidine (PubChem CID 123535747) has the molecular formula C9H18FNO2S and a molecular weight of 223.31 g/mol. Its IUPAC name is 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine.

Molecular Properties

Compound Name4-ethylsulfonyl-1-(2-fluoroethyl)piperidine
PubChem CID123535747
Molecular FormulaC9H18FNO2S
Molecular Weight223.31 g/mol
Exact Mass223.10
IUPAC Name4-ethylsulfonyl-1-(2-fluoroethyl)piperidine
SMILESCCS(=O)(=O)C1CCN(CCF)CC1
InChIInChI=1S/C9H18FNO2S/c1-2-14(12,13)9-3-6-11(7-4-9)8-5-10/h9H,2-8H2,1H3
InChIKeyVZZKEKDNGBEOIM-UHFFFAOYSA-N
XLogP0.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(Methylsulfonyl)-1-(2,2,2-trifluoroethyl)piperidine
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1-Fluoro-4-methylsulfonylpiperidine
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1-(3-Fluoropiperidin-1-yl)propane-2-sulfonic acid
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CID 166871610
2,3-Difluoro-3-(1-methylpiperidin-1-ium-1-yl)propane-1-sulfonate
CID 166871939
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4-Hexyl-1,4-thiazinane 1,1-dioxide
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CID 318465

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine?
The IUPAC name of 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine (CID 123535747) is 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine.
What is the SMILES notation for 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine?
The canonical SMILES for 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine is CCS(=O)(=O)C1CCN(CCF)CC1.
What is the InChIKey of 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine?
The InChIKey is VZZKEKDNGBEOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2S/c1-2-14(12,13)9-3-6-11(7-4-9)8-5-10/h9H,2-8H2,1H3.
What are the key properties of 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine?
4-ethylsulfonyl-1-(2-fluoroethyl)piperidine has a molecular weight of 223.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-1-(2-fluoroethyl)piperidine is sourced from PubChem (CID 123535747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).