butane-1,4-disulfonyl fluoride

C4H8F2O4S2 — CID 14384435

IUPACbutane-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)CCCCS(=O)(=O)F
InChIInChI=1S/C4H8F2O4S2/c5-11(7,8)3-1-2-4-12(6,9)10/h1-4H2
InChIKeyPKLPSDYYTGXFBV-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.37
Rot. Bonds5

About butane-1,4-disulfonyl fluoride

butane-1,4-disulfonyl fluoride (PubChem CID 14384435) has the molecular formula C4H8F2O4S2 and a molecular weight of 222.23 g/mol. Its IUPAC name is butane-1,4-disulfonyl fluoride.

Molecular Properties

Compound Namebutane-1,4-disulfonyl fluoride
PubChem CID14384435
Molecular FormulaC4H8F2O4S2
Molecular Weight222.23 g/mol
Exact Mass221.98
IUPAC Namebutane-1,4-disulfonyl fluoride
SMILESO=S(=O)(F)CCCCS(=O)(=O)F
InChIInChI=1S/C4H8F2O4S2/c5-11(7,8)3-1-2-4-12(6,9)10/h1-4H2
InChIKeyPKLPSDYYTGXFBV-UHFFFAOYSA-N
XLogP0.37
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butane-1,4-disulfonyl fluoride?
The IUPAC name of butane-1,4-disulfonyl fluoride (CID 14384435) is butane-1,4-disulfonyl fluoride.
What is the SMILES notation for butane-1,4-disulfonyl fluoride?
The canonical SMILES for butane-1,4-disulfonyl fluoride is O=S(=O)(F)CCCCS(=O)(=O)F.
What is the InChIKey of butane-1,4-disulfonyl fluoride?
The InChIKey is PKLPSDYYTGXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2O4S2/c5-11(7,8)3-1-2-4-12(6,9)10/h1-4H2.
What are the key properties of butane-1,4-disulfonyl fluoride?
butane-1,4-disulfonyl fluoride has a molecular weight of 222.23 g/mol, XLogP of 0.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-disulfonyl fluoride is sourced from PubChem (CID 14384435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).