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

C7F15NO3S — CID 14172430

IUPAC1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F15NO3S/c8-1(9,7(20,21)27(22,24)25)2(10,11)23-3(12,13)5(16,17)26-6(18,19)4(23,14)15
InChIKeyZWHPCHRSYMPCSB-UHFFFAOYSA-N
MW463.12 g/mol
LogP3.81
Rot. Bonds4

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

1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride (PubChem CID 14172430) has the molecular formula C7F15NO3S and a molecular weight of 463.12 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride
PubChem CID14172430
Molecular FormulaC7F15NO3S
Molecular Weight463.12 g/mol
Exact Mass462.94
IUPAC Name1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F15NO3S/c8-1(9,7(20,21)27(22,24)25)2(10,11)23-3(12,13)5(16,17)26-6(18,19)4(23,14)15
InChIKeyZWHPCHRSYMPCSB-UHFFFAOYSA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.12
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-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-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride (CID 14172430) is 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride?
The InChIKey is ZWHPCHRSYMPCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F15NO3S/c8-1(9,7(20,21)27(22,24)25)2(10,11)23-3(12,13)5(16,17)26-6(18,19)4(23,14)15.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride?
1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride has a molecular weight of 463.12 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 14172430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).