4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine

C8H14F3NO2S — CID 59862750

IUPAC4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-7-2-4-12(5-3-7)15(13,14)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyKXQLWVNFIFOSJR-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.61
Rot. Bonds2

About 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine

4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine (PubChem CID 59862750) has the molecular formula C8H14F3NO2S and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
PubChem CID59862750
Molecular FormulaC8H14F3NO2S
Molecular Weight245.27 g/mol
Exact Mass245.07
IUPAC Name4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine
SMILESCC1CCN(S(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO2S/c1-7-2-4-12(5-3-7)15(13,14)6-8(9,10)11/h7H,2-6H2,1H3
InChIKeyKXQLWVNFIFOSJR-UHFFFAOYSA-N
XLogP1.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3646972
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CID 97213735
4,4-Difluoro-1-(isobutylsulfonyl)piperidine
CID 121184679
4-Propan-2-yl-1-(trifluoromethylsulfonyl)piperidine
CID 20782490
3,5-Dimethyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227866
3-Methyl-1-(trifluoromethylsulfonyl)piperidine
CID 23227876
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)piperidine
CID 58108244
1-(2,2-Difluoropropylsulfonyl)piperidine
CID 58122780
1-(1,1,2,2,3,3-Hexafluoropentylsulfonyl)piperidine
CID 58291401
1-(2,2-Difluoroethylsulfonyl)piperidine
CID 58436043
4,4-Difluoro-2-(2-methylpropyl)thiazinane 1,1-dioxide
CID 58799810

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine (CID 59862750) is 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine is CC1CCN(S(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
The InChIKey is KXQLWVNFIFOSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2S/c1-7-2-4-12(5-3-7)15(13,14)6-8(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine?
4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine has a molecular weight of 245.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethylsulfonyl)piperidine is sourced from PubChem (CID 59862750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).