1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride

C7F16NO3S+ — CID 129185039

IUPAC1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)[N+]1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F16NO3S/c8-1(9,7(20,21)28(23,25)26)2(10,11)24(22)3(12,13)5(16,17)27-6(18,19)4(24,14)15/q+1
InChIKeyMSOBVIPFWBQROC-UHFFFAOYSA-N
MW482.12 g/mol
LogP4.21
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride

1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride (PubChem CID 129185039) has the molecular formula C7F16NO3S+ and a molecular weight of 482.12 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride
PubChem CID129185039
Molecular FormulaC7F16NO3S+
Molecular Weight482.12 g/mol
Exact Mass481.93
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)[N+]1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F16NO3S/c8-1(9,7(20,21)28(23,25)26)2(10,11)24(22)3(12,13)5(16,17)27-6(18,19)4(24,14)15/q+1
InChIKeyMSOBVIPFWBQROC-UHFFFAOYSA-N
XLogP4.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.12
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride (CID 129185039) is 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)[N+]1(F)C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride?
The InChIKey is MSOBVIPFWBQROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F16NO3S/c8-1(9,7(20,21)28(23,25)26)2(10,11)24(22)3(12,13)5(16,17)27-6(18,19)4(24,14)15/q+1.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride?
1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride has a molecular weight of 482.12 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,4,5,5,6,6-nonafluoromorpholin-4-ium-4-yl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 129185039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).