4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine

C8H14F3NO2S — CID 121183069

IUPAC4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCS(=O)(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-15(13,14)7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyDMWFAGARJUZLPE-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.06
Rot. Bonds2

About 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine

4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 121183069) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID121183069
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine
SMILESCS(=O)(=O)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-15(13,14)7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyDMWFAGARJUZLPE-UHFFFAOYSA-N
XLogP1.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanidyl-4-(trifluoromethylsulfonyl)piperidin-1-ium
CID 57868235
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(1,1,2,2,3,3-Hexafluoro-3-methylsulfonylpropyl)sulfonylpiperidine
CID 59524591
1-(1,1,1-Trifluoropropan-2-ylsulfonyl)piperidine
CID 67890570
1-(1,1,1,3,3-Pentafluoropropan-2-ylsulfonyl)piperidine
CID 67890803
1-(3,3,4,4-Tetrafluoropentylsulfonyl)piperidine
CID 87067713
1-(2,2,2-Trifluoroethyl)piperidine-4-sulfinate
CID 89881705
1-Ethylsulfonyl-4,4-difluoropiperidine
CID 121184667
4,4-Difluoro-1-(propane-2-sulfonyl)piperidine
CID 121184672
4-Ethylsulfonyl-1-(2-fluoroethyl)piperidine
CID 123535747
1-(3,3,3-Trifluoropropyl)piperidine-4-sulfinate
CID 123767622
1-(3,3,4,4-Tetrafluorobutylsulfonyl)piperidine
CID 126638201

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine (CID 121183069) is 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine is CS(=O)(=O)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is DMWFAGARJUZLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-15(13,14)7-2-4-12(5-3-7)6-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine?
4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 121183069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).