1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride

C3Cl2F6O4S2 — CID 10926127

IUPAC1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C3Cl2F6O4S2/c4-16(12,13)2(8,9)1(6,7)3(10,11)17(5,14)15
InChIKeyXQWAJTYCOCLLBC-UHFFFAOYSA-N
MW349.06 g/mol
LogP1.94
Rot. Bonds4

About 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride

1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride (PubChem CID 10926127) has the molecular formula C3Cl2F6O4S2 and a molecular weight of 349.06 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride
PubChem CID10926127
Molecular FormulaC3Cl2F6O4S2
Molecular Weight349.06 g/mol
Exact Mass347.85
IUPAC Name1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl
InChIInChI=1S/C3Cl2F6O4S2/c4-16(12,13)2(8,9)1(6,7)3(10,11)17(5,14)15
InChIKeyXQWAJTYCOCLLBC-UHFFFAOYSA-N
XLogP1.94
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.06
LogP ≤ 51.94
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-hexafluoropropane-1,3-disulfonyl chloride?
The IUPAC name of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride (CID 10926127) is 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride?
The canonical SMILES for 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride is O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Cl.
What is the InChIKey of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride?
The InChIKey is XQWAJTYCOCLLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F6O4S2/c4-16(12,13)2(8,9)1(6,7)3(10,11)17(5,14)15.
What are the key properties of 1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride?
1,1,2,2,3,3-hexafluoropropane-1,3-disulfonyl chloride has a molecular weight of 349.06 g/mol, XLogP of 1.94, 4 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-hexafluoropropane-1,3-disulfonyl chloride is sourced from PubChem (CID 10926127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).