pentane-1,5-disulfonyl fluoride

C5H10F2O4S2 — CID 126970733

IUPACpentane-1,5-disulfonyl fluoride
SMILESO=S(=O)(F)CCCCCS(=O)(=O)F
InChIInChI=1S/C5H10F2O4S2/c6-12(8,9)4-2-1-3-5-13(7,10)11/h1-5H2
InChIKeyMKUUKNKNTWVMSB-UHFFFAOYSA-N
MW236.26 g/mol
LogP0.76
Rot. Bonds6

About pentane-1,5-disulfonyl fluoride

pentane-1,5-disulfonyl fluoride (PubChem CID 126970733) has the molecular formula C5H10F2O4S2 and a molecular weight of 236.26 g/mol. Its IUPAC name is pentane-1,5-disulfonyl fluoride.

Molecular Properties

Compound Namepentane-1,5-disulfonyl fluoride
PubChem CID126970733
Molecular FormulaC5H10F2O4S2
Molecular Weight236.26 g/mol
Exact Mass236.00
IUPAC Namepentane-1,5-disulfonyl fluoride
SMILESO=S(=O)(F)CCCCCS(=O)(=O)F
InChIInChI=1S/C5H10F2O4S2/c6-12(8,9)4-2-1-3-5-13(7,10)11/h1-5H2
InChIKeyMKUUKNKNTWVMSB-UHFFFAOYSA-N
XLogP0.76
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.76
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 pentane-1,5-disulfonyl fluoride?
The IUPAC name of pentane-1,5-disulfonyl fluoride (CID 126970733) is pentane-1,5-disulfonyl fluoride.
What is the SMILES notation for pentane-1,5-disulfonyl fluoride?
The canonical SMILES for pentane-1,5-disulfonyl fluoride is O=S(=O)(F)CCCCCS(=O)(=O)F.
What is the InChIKey of pentane-1,5-disulfonyl fluoride?
The InChIKey is MKUUKNKNTWVMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O4S2/c6-12(8,9)4-2-1-3-5-13(7,10)11/h1-5H2.
What are the key properties of pentane-1,5-disulfonyl fluoride?
pentane-1,5-disulfonyl fluoride has a molecular weight of 236.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentane-1,5-disulfonyl fluoride is sourced from PubChem (CID 126970733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).