2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene

C14H4F22OS — CID 155490819

IUPAC2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene
SMILESO=S(C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H4F22OS/c15-3(7(21,22)11(29,30)13(33,34)9(25,26)5(17)18)1-38(37)2-4(16)8(23,24)12(31,32)14(35,36)10(27,28)6(19)20/h1-2,5-6H
InChIKeyRAUFMIWGLUDRFF-UHFFFAOYSA-N
MW638.21 g/mol
LogP7.97
Rot. Bonds12

About 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene

2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene (PubChem CID 155490819) has the molecular formula C14H4F22OS and a molecular weight of 638.21 g/mol. Its IUPAC name is 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene
PubChem CID155490819
Molecular FormulaC14H4F22OS
Molecular Weight638.21 g/mol
Exact Mass637.96
IUPAC Name2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene
SMILESO=S(C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H4F22OS/c15-3(7(21,22)11(29,30)13(33,34)9(25,26)5(17)18)1-38(37)2-4(16)8(23,24)12(31,32)14(35,36)10(27,28)6(19)20/h1-2,5-6H
InChIKeyRAUFMIWGLUDRFF-UHFFFAOYSA-N
XLogP7.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.21
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene with MolForge

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Related Compounds

Bis(2,3,3,4,4,5,5-heptafluoropent-1-en-1-yl) sulfoxide
CID 155490535
Bis(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-en-1-yl)-sulfane
CID 155490803
2,4,4,4-Tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfinyl)but-1-ene
CID 91263192

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene?
The IUPAC name of 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene (CID 155490819) is 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene.
What is the SMILES notation for 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene?
The canonical SMILES for 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene is O=S(C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene?
The InChIKey is RAUFMIWGLUDRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F22OS/c15-3(7(21,22)11(29,30)13(33,34)9(25,26)5(17)18)1-38(37)2-4(16)8(23,24)12(31,32)14(35,36)10(27,28)6(19)20/h1-2,5-6H.
What are the key properties of 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene?
2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene has a molecular weight of 638.21 g/mol, XLogP of 7.97, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,5,5,6,6,7,7-undecafluoro-1-(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-enylsulfinyl)hept-1-ene is sourced from PubChem (CID 155490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).