1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride

C4H2F8O4S2 — CID 14203454

IUPAC1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)S(=O)(=O)F
InChIInChI=1S/C4H2F8O4S2/c5-1(17(11,13)14)3(7,8)4(9,10)2(6)18(12,15)16/h1-2H
InChIKeyYYXKBOVLIDCEOU-UHFFFAOYSA-N
MW330.17 g/mol
LogP1.45
Rot. Bonds5

About 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride

1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride (PubChem CID 14203454) has the molecular formula C4H2F8O4S2 and a molecular weight of 330.17 g/mol. Its IUPAC name is 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride
PubChem CID14203454
Molecular FormulaC4H2F8O4S2
Molecular Weight330.17 g/mol
Exact Mass329.93
IUPAC Name1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)S(=O)(=O)F
InChIInChI=1S/C4H2F8O4S2/c5-1(17(11,13)14)3(7,8)4(9,10)2(6)18(12,15)16/h1-2H
InChIKeyYYXKBOVLIDCEOU-UHFFFAOYSA-N
XLogP1.45
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,3,3,4,4-Octafluorobutane-1-sulphonic anhydride
CID 44147016
3,3,3-Trifluoropropylenesulfonyl fluoride
CID 118682782
1,1,1,3,3,3-Hexafluoropropane-2-sulfonyl fluoride
CID 13397404
1,2,2,3,3,3-Hexafluoropropane-1-sulfonyl fluoride
CID 13661519
1,2,2,3,3,4,4,5,5,6-Decafluorohexane-1,6-disulfonyl difluoride
CID 12839493
1,2,2,3-Tetrafluoropropane-1,3-disulfonyl difluoride
CID 13223786
2,2,2-Trifluoroethylsulfonyl 2,2,2-trifluoroethanesulfonate
CID 12727408
2,2-Difluoropropane-1,3-disulfonyl difluoride
CID 13721949
1,2,2,3,3,4,4,5,5-Nonafluoropentane-1-sulfonyl fluoride
CID 19695008
2,2,3,3,4,4,4-Heptafluorobutane-1-sulfonate
CID 22460364
1,1,1,4,4,4-Hexafluorobutane-2-sulfonate
CID 23533131
3,3,3-Trifluoropropane-1-sulfonyl fluoride
CID 56604609

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride?
The IUPAC name of 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride (CID 14203454) is 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride.
What is the SMILES notation for 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride?
The canonical SMILES for 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride is O=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)S(=O)(=O)F.
What is the InChIKey of 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride?
The InChIKey is YYXKBOVLIDCEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O4S2/c5-1(17(11,13)14)3(7,8)4(9,10)2(6)18(12,15)16/h1-2H.
What are the key properties of 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride?
1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride has a molecular weight of 330.17 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4-hexafluorobutane-1,4-disulfonyl fluoride is sourced from PubChem (CID 14203454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).