1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride

C5Cl2F10O4S2 — CID 86072668

IUPAC1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C5Cl2F10O4S2/c6-22(18,19)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)23(7,20)21
InChIKeyMJEQJAHMYYUHBI-UHFFFAOYSA-N
MW449.07 g/mol
LogP3.22
Rot. Bonds6

About 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride

1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride (PubChem CID 86072668) has the molecular formula C5Cl2F10O4S2 and a molecular weight of 449.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride
PubChem CID86072668
Molecular FormulaC5Cl2F10O4S2
Molecular Weight449.07 g/mol
Exact Mass447.85
IUPAC Name1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C5Cl2F10O4S2/c6-22(18,19)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)23(7,20)21
InChIKeyMJEQJAHMYYUHBI-UHFFFAOYSA-N
XLogP3.22
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.07
LogP ≤ 53.22
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 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride (CID 86072668) is 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride?
The InChIKey is MJEQJAHMYYUHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F10O4S2/c6-22(18,19)4(14,15)2(10,11)1(8,9)3(12,13)5(16,17)23(7,20)21.
What are the key properties of 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride?
1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride has a molecular weight of 449.07 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5-decafluoropentane-1,5-disulfonyl chloride is sourced from PubChem (CID 86072668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).