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

C4Cl2F8O4S2 — CID 2737792

IUPAC1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C4Cl2F8O4S2/c5-19(15,16)3(11,12)1(7,8)2(9,10)4(13,14)20(6,17)18
InChIKeyYTQKRFHUQIIFJB-UHFFFAOYSA-N
MW399.06 g/mol
LogP2.58
Rot. Bonds5

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

1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride (PubChem CID 2737792) has the molecular formula C4Cl2F8O4S2 and a molecular weight of 399.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride
PubChem CID2737792
Molecular FormulaC4Cl2F8O4S2
Molecular Weight399.06 g/mol
Exact Mass397.85
IUPAC Name1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C4Cl2F8O4S2/c5-19(15,16)3(11,12)1(7,8)2(9,10)4(13,14)20(6,17)18
InChIKeyYTQKRFHUQIIFJB-UHFFFAOYSA-N
XLogP2.58
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.06
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride (CID 2737792) is 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride?
The InChIKey is YTQKRFHUQIIFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl2F8O4S2/c5-19(15,16)3(11,12)1(7,8)2(9,10)4(13,14)20(6,17)18.
What are the key properties of 1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride?
1,1,2,2,3,3,4,4-octafluorobutane-1,4-disulfonyl chloride has a molecular weight of 399.06 g/mol, XLogP of 2.58, 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 chloride is sourced from PubChem (CID 2737792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).