1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride

C3F8O4S2 — CID 87405045

IUPAC1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)(C(F)(F)C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C3F8O4S2/c4-1(5,2(6,7)8)3(9,16(10,12)13)17(11,14)15
InChIKeyDSCJZXXQLMHSBI-UHFFFAOYSA-N
MW316.15 g/mol
LogP1.41
Rot. Bonds3

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

1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride (PubChem CID 87405045) has the molecular formula C3F8O4S2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride
PubChem CID87405045
Molecular FormulaC3F8O4S2
Molecular Weight316.15 g/mol
Exact Mass315.91
IUPAC Name1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)(C(F)(F)C(F)(F)F)S(=O)(=O)F
InChIInChI=1S/C3F8O4S2/c4-1(5,2(6,7)8)3(9,16(10,12)13)17(11,14)15
InChIKeyDSCJZXXQLMHSBI-UHFFFAOYSA-N
XLogP1.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 51.41
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 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride?
The IUPAC name of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride (CID 87405045) is 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride.
What is the SMILES notation for 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride?
The canonical SMILES for 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride is O=S(=O)(F)C(F)(C(F)(F)C(F)(F)F)S(=O)(=O)F.
What is the InChIKey of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride?
The InChIKey is DSCJZXXQLMHSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3F8O4S2/c4-1(5,2(6,7)8)3(9,16(10,12)13)17(11,14)15.
What are the key properties of 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride?
1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride has a molecular weight of 316.15 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,3-hexafluoropropane-1,1-disulfonyl fluoride is sourced from PubChem (CID 87405045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).