4-deuterio-1-(trifluoromethylsulfonyl)piperidine

C6H10F3NO2S — CID 175981721

IUPAC4-deuterio-1-(trifluoromethylsulfonyl)piperidine
SMILES[2H]C1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-4-2-1-3-5-10/h1-5H2/i1D
InChIKeyMBLHRHYLNYFCEV-MICDWDOJSA-N
MW218.22 g/mol
LogP1.32
Rot. Bonds1

About 4-deuterio-1-(trifluoromethylsulfonyl)piperidine

4-deuterio-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 175981721) has the molecular formula C6H10F3NO2S and a molecular weight of 218.22 g/mol. Its IUPAC name is 4-deuterio-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name4-deuterio-1-(trifluoromethylsulfonyl)piperidine
PubChem CID175981721
Molecular FormulaC6H10F3NO2S
Molecular Weight218.22 g/mol
Exact Mass218.04
IUPAC Name4-deuterio-1-(trifluoromethylsulfonyl)piperidine
SMILES[2H]C1CCN(S(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-4-2-1-3-5-10/h1-5H2/i1D
InChIKeyMBLHRHYLNYFCEV-MICDWDOJSA-N
XLogP1.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethylsulfonyl)piperazine
CID 18690833
1-(trifluoromethylsulfonyl)-1,4,7,10,14,17-hexazacycloicosane
CID 175452379
4,4-dimethyl-1-(trifluoromethylsulfonyl)-1,4-azasilepane
CID 125492184
4-methyl-1-(trifluoromethylsulfonyl)piperidin-4-ol
CID 81103098
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 87431538
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)azepane
CID 126638181
3-(azocan-1-ylsulfonyl)-1,1,2,2,3,3-hexafluoropropane-1-thiol
CID 89345835
(3R,4R)-3,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 86276442
3,3-dimethyl-1-(trifluoromethylsulfonyl)azetidine
CID 123629088
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-2,2,2-trifluoroacetamide
CID 88855230
2,2,3,3,4,4-hexafluoro-4-piperidin-1-ylsulfonylbutaneperoxoic acid
CID 59817175
(3aR,7aS)-1-(trifluoromethylsulfonyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 86276451

Frequently Asked Questions

What is the IUPAC name of 4-deuterio-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 4-deuterio-1-(trifluoromethylsulfonyl)piperidine (CID 175981721) is 4-deuterio-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 4-deuterio-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 4-deuterio-1-(trifluoromethylsulfonyl)piperidine is [2H]C1CCN(S(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 4-deuterio-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is MBLHRHYLNYFCEV-MICDWDOJSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-6(8,9)13(11,12)10-4-2-1-3-5-10/h1-5H2/i1D.
What are the key properties of 4-deuterio-1-(trifluoromethylsulfonyl)piperidine?
4-deuterio-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 218.22 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-deuterio-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 175981721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).