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

C4F10O4S2 — CID 14384436

IUPAC1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4F10O4S2/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18
InChIKeyHZKTUYKCBMCCQM-UHFFFAOYSA-N
MW366.15 g/mol
LogP2.04
Rot. Bonds5

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

1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride (PubChem CID 14384436) has the molecular formula C4F10O4S2 and a molecular weight of 366.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride
PubChem CID14384436
Molecular FormulaC4F10O4S2
Molecular Weight366.15 g/mol
Exact Mass365.91
IUPAC Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C4F10O4S2/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18
InChIKeyHZKTUYKCBMCCQM-UHFFFAOYSA-N
XLogP2.04
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 52.04
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

Perfluoro-1-butanesulfonyl fluoride
CID 67814
Perfluorobutanesulfonate
CID 3741048
1-Pentanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-
CID 67816
1,1,2,2,3,3,4,4,4-Nonafluorobutane-1-sulfonic anhydride
CID 4281883
4-(Pentafluorosulfanyl)perfluorobutyl sulfonic acid
CID 131717604
Magnesium nonafluorobutanesulfonate
CID 2778351
1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propane-1-sulphonic anhydride
CID 44150164
Perfluoropentane sulfonic anhydride
CID 54386350
1,4-Butanedisulfonyl dichloride, 1,1,2,2,3,3,4,4-octafluoro-
CID 2737792
Tetrafluoroethane-1,2-disulfonic acid difluoride
CID 10923456
1,1,2,2,3,3-Hexafluoro-1,3-propanedisulfonyl difluoride
CID 11130879
Perfluoro-2-propanesulfonyl fluoride
CID 13721944

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride (CID 14384436) is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride is O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride?
The InChIKey is HZKTUYKCBMCCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F10O4S2/c5-1(6,3(9,10)19(13,15)16)2(7,8)4(11,12)20(14,17)18.
What are the key properties of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride?
1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride has a molecular weight of 366.15 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl fluoride is sourced from PubChem (CID 14384436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).