1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine

C12H19F6NO2S — CID 126638178

IUPAC1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H19F6NO2S/c1-9(2)6-5-7-10(3,4)19(9)22(20,21)12(17,18)11(15,16)8(13)14/h8H,5-7H2,1-4H3
InChIKeyMXMJBNTUMXSPSU-UHFFFAOYSA-N
MW355.34 g/mol
LogP3.85
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine

1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine (PubChem CID 126638178) has the molecular formula C12H19F6NO2S and a molecular weight of 355.34 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine
PubChem CID126638178
Molecular FormulaC12H19F6NO2S
Molecular Weight355.34 g/mol
Exact Mass355.10
IUPAC Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C12H19F6NO2S/c1-9(2)6-5-7-10(3,4)19(9)22(20,21)12(17,18)11(15,16)8(13)14/h8H,5-7H2,1-4H3
InChIKeyMXMJBNTUMXSPSU-UHFFFAOYSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine (CID 126638178) is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1S(=O)(=O)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine?
The InChIKey is MXMJBNTUMXSPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO2S/c1-9(2)6-5-7-10(3,4)19(9)22(20,21)12(17,18)11(15,16)8(13)14/h8H,5-7H2,1-4H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine?
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine has a molecular weight of 355.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 126638178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).