1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

C8H3F13O2S — CID 11464006

IUPAC1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESC=CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O2S/c1-2-24(22,23)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H,1H2
InChIKeyBOZXIZKQQHQMML-UHFFFAOYSA-N
MW410.15 g/mol
LogP4.24
Rot. Bonds6

About 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (PubChem CID 11464006) has the molecular formula C8H3F13O2S and a molecular weight of 410.15 g/mol. Its IUPAC name is 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.

Molecular Properties

Compound Name1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
PubChem CID11464006
Molecular FormulaC8H3F13O2S
Molecular Weight410.15 g/mol
Exact Mass409.96
IUPAC Name1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESC=CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H3F13O2S/c1-2-24(22,23)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H,1H2
InChIKeyBOZXIZKQQHQMML-UHFFFAOYSA-N
XLogP4.24
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.15
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The IUPAC name of 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CID 11464006) is 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.
What is the SMILES notation for 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The canonical SMILES for 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is C=CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The InChIKey is BOZXIZKQQHQMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O2S/c1-2-24(22,23)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H,1H2.
What are the key properties of 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane has a molecular weight of 410.15 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is sourced from PubChem (CID 11464006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).