2-[2-(fluoromethylsulfonyl)ethyl]piperidine

C8H16FNO2S — CID 84722923

IUPAC2-[2-(fluoromethylsulfonyl)ethyl]piperidine
SMILESO=S(=O)(CF)CCC1CCCCN1
InChIInChI=1S/C8H16FNO2S/c9-7-13(11,12)6-4-8-3-1-2-5-10-8/h8,10H,1-7H2
InChIKeyBOXLGYOYECERND-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds4

About 2-[2-(fluoromethylsulfonyl)ethyl]piperidine

2-[2-(fluoromethylsulfonyl)ethyl]piperidine (PubChem CID 84722923) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(fluoromethylsulfonyl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2-(fluoromethylsulfonyl)ethyl]piperidine
PubChem CID84722923
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-[2-(fluoromethylsulfonyl)ethyl]piperidine
SMILESO=S(=O)(CF)CCC1CCCCN1
InChIInChI=1S/C8H16FNO2S/c9-7-13(11,12)6-4-8-3-1-2-5-10-8/h8,10H,1-7H2
InChIKeyBOXLGYOYECERND-UHFFFAOYSA-N
XLogP0.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Methanesulfonylethyl)piperidine hydrochloride
CID 72716379
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
4-(Cyclohexanesulfonyl)piperidine
CID 71777947
(+/-)-trans-3-Fluoro-4-methanesulfonylpiperidine
CID 90183736
(3S,4S)-3-fluoro-4-methylsulfonylpiperidine
CID 118661716
3-Fluoro-4-methylsulfonylpiperidine
CID 123233741
2-fluoro-N-methyl-5-methylsulfonylcyclohexan-1-amine
CID 123895490
2-Methyl-3-propan-2-ylsulfonyl-4-propyl-6-(trifluoromethyl)piperidine
CID 156508692
(4R)-3-fluoro-4-methylsulfonylpiperidine
CID 164099547
N-(3-methylsulfonylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905511
N-ethyl-2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009154
2-piperidin-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 60864187

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethylsulfonyl)ethyl]piperidine?
The IUPAC name of 2-[2-(fluoromethylsulfonyl)ethyl]piperidine (CID 84722923) is 2-[2-(fluoromethylsulfonyl)ethyl]piperidine.
What is the SMILES notation for 2-[2-(fluoromethylsulfonyl)ethyl]piperidine?
The canonical SMILES for 2-[2-(fluoromethylsulfonyl)ethyl]piperidine is O=S(=O)(CF)CCC1CCCCN1.
What is the InChIKey of 2-[2-(fluoromethylsulfonyl)ethyl]piperidine?
The InChIKey is BOXLGYOYECERND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-7-13(11,12)6-4-8-3-1-2-5-10-8/h8,10H,1-7H2.
What are the key properties of 2-[2-(fluoromethylsulfonyl)ethyl]piperidine?
2-[2-(fluoromethylsulfonyl)ethyl]piperidine has a molecular weight of 209.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethylsulfonyl)ethyl]piperidine is sourced from PubChem (CID 84722923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).