1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride

C6F13NO3S — CID 11811714

IUPAC1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6F13NO3S/c7-1(8)4(13,14)23-5(15,16)2(9,10)20(1)3(11,12)6(17,18)24(19,21)22
InChIKeyDJSJDKURMONFES-UHFFFAOYSA-N
MW413.11 g/mol
LogP3.17
Rot. Bonds3

About 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride

1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride (PubChem CID 11811714) has the molecular formula C6F13NO3S and a molecular weight of 413.11 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride
PubChem CID11811714
Molecular FormulaC6F13NO3S
Molecular Weight413.11 g/mol
Exact Mass412.94
IUPAC Name1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)N1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C6F13NO3S/c7-1(8)4(13,14)23-5(15,16)2(9,10)20(1)3(11,12)6(17,18)24(19,21)22
InChIKeyDJSJDKURMONFES-UHFFFAOYSA-N
XLogP3.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.11
LogP ≤ 53.17
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-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride (CID 11811714) is 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride is O=S(=O)(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-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride?
The InChIKey is DJSJDKURMONFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F13NO3S/c7-1(8)4(13,14)23-5(15,16)2(9,10)20(1)3(11,12)6(17,18)24(19,21)22.
What are the key properties of 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride?
1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride has a molecular weight of 413.11 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 11811714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).