1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride

C6H2F12O4S2 — CID 12839493

IUPAC1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)S(=O)(=O)F
InChIInChI=1S/C6H2F12O4S2/c7-1(23(17,19)20)3(9,10)5(13,14)6(15,16)4(11,12)2(8)24(18,21)22/h1-2H
InChIKeyJETFOXHCUVBZIU-UHFFFAOYSA-N
MW430.19 g/mol
LogP2.72
Rot. Bonds7

About 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride

1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride (PubChem CID 12839493) has the molecular formula C6H2F12O4S2 and a molecular weight of 430.19 g/mol. Its IUPAC name is 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride.

Molecular Properties

Compound Name1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride
PubChem CID12839493
Molecular FormulaC6H2F12O4S2
Molecular Weight430.19 g/mol
Exact Mass429.92
IUPAC Name1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride
SMILESO=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)S(=O)(=O)F
InChIInChI=1S/C6H2F12O4S2/c7-1(23(17,19)20)3(9,10)5(13,14)6(15,16)4(11,12)2(8)24(18,21)22/h1-2H
InChIKeyJETFOXHCUVBZIU-UHFFFAOYSA-N
XLogP2.72
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.19
LogP ≤ 52.72
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 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride?
The IUPAC name of 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride (CID 12839493) is 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride.
What is the SMILES notation for 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride?
The canonical SMILES for 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride is O=S(=O)(F)C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)S(=O)(=O)F.
What is the InChIKey of 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride?
The InChIKey is JETFOXHCUVBZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O4S2/c7-1(23(17,19)20)3(9,10)5(13,14)6(15,16)4(11,12)2(8)24(18,21)22/h1-2H.
What are the key properties of 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride?
1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride has a molecular weight of 430.19 g/mol, XLogP of 2.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4,4,5,5,6-decafluorohexane-1,6-disulfonyl fluoride is sourced from PubChem (CID 12839493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).