piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate

C7H11F6NO5S2 — CID 87489208

IUPACpiperidine;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESC1CCNCC1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H11N.C2F6O5S2/c1-2-4-6-5-3-1;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h6H,1-5H2;
InChIKeyIGLTXZOVLXQLNX-UHFFFAOYSA-N
MW367.29 g/mol
LogP1.46
Rot. Bonds2

About piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate

piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 87489208) has the molecular formula C7H11F6NO5S2 and a molecular weight of 367.29 g/mol. Its IUPAC name is piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

Compound Namepiperidine;trifluoromethylsulfonyl trifluoromethanesulfonate
PubChem CID87489208
Molecular FormulaC7H11F6NO5S2
Molecular Weight367.29 g/mol
Exact Mass367.00
IUPAC Namepiperidine;trifluoromethylsulfonyl trifluoromethanesulfonate
SMILESC1CCNCC1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H11N.C2F6O5S2/c1-2-4-6-5-3-1;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h6H,1-5H2;
InChIKeyIGLTXZOVLXQLNX-UHFFFAOYSA-N
XLogP1.46
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Piperidinium trifluoromethanesulfonate
CID 88480157
Methylpiperidinium trifluoromethane sulfonate
CID 88480153
Pyridine trifluoromethanesulfonate
CID 12065827
1,1,1-trifluoro-N-[(4-fluoropiperidin-4-yl)methyl]methanesulfonamide
CID 22040246
Ethylpiperidinium Trifluoromethanesulfonate
CID 23134843
N-[difluoro(piperidin-1-ylsulfonyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide
CID 59392259
Piperidine;trifluoromethanesulfonamide
CID 67134795
Bis(trifluoromethylsulfonyl)azanide;1-propylpiperidin-1-ium
CID 87765128
1,1-difluoro-1-piperidin-1-ylsulfinyl-N-(trifluoromethylsulfinyl)methanesulfonamide
CID 88935194
1,1-difluoro-1-piperidin-1-ylsulfonyl-N-(trifluoromethyl)methanesulfonamide
CID 89547668
N-[difluoro(piperidin-1-ylsulfinyl)methyl]sulfonyl-1,1,1-trifluoromethanesulfonamide
CID 89956071
piperidine;N-(trifluoromethylsulfonyl)sulfamoyl fluoride
CID 118659624

Frequently Asked Questions

What is the IUPAC name of piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate?
The IUPAC name of piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 87489208) is piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate.
What is the SMILES notation for piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate?
The canonical SMILES for piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate is C1CCNCC1.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate?
The InChIKey is IGLTXZOVLXQLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C2F6O5S2/c1-2-4-6-5-3-1;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h6H,1-5H2;.
What are the key properties of piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate?
piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 367.29 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 87489208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).