2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene

C10H4F14OS — CID 155490535

IUPAC2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene
SMILESO=S(C=C(F)C(F)(F)C(F)(F)C(F)F)C=C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F14OS/c11-3(7(17,18)9(21,22)5(13)14)1-26(25)2-4(12)8(19,20)10(23,24)6(15)16/h1-2,5-6H
InChIKeyAQJQVZPNWODLCL-UHFFFAOYSA-N
MW438.18 g/mol
LogP5.43
Rot. Bonds8

About 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene

2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene (PubChem CID 155490535) has the molecular formula C10H4F14OS and a molecular weight of 438.18 g/mol. Its IUPAC name is 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene.

Molecular Properties

Compound Name2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene
PubChem CID155490535
Molecular FormulaC10H4F14OS
Molecular Weight438.18 g/mol
Exact Mass437.98
IUPAC Name2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene
SMILESO=S(C=C(F)C(F)(F)C(F)(F)C(F)F)C=C(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H4F14OS/c11-3(7(17,18)9(21,22)5(13)14)1-26(25)2-4(12)8(19,20)10(23,24)6(15)16/h1-2,5-6H
InChIKeyAQJQVZPNWODLCL-UHFFFAOYSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.18
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene?
The IUPAC name of 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene (CID 155490535) is 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene.
What is the SMILES notation for 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene?
The canonical SMILES for 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene is O=S(C=C(F)C(F)(F)C(F)(F)C(F)F)C=C(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene?
The InChIKey is AQJQVZPNWODLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F14OS/c11-3(7(17,18)9(21,22)5(13)14)1-26(25)2-4(12)8(19,20)10(23,24)6(15)16/h1-2,5-6H.
What are the key properties of 2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene?
2,3,3,4,4,5,5-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene has a molecular weight of 438.18 g/mol, XLogP of 5.43, 8 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-heptafluoro-1-(2,3,3,4,4,5,5-heptafluoropent-1-enylsulfinyl)pent-1-ene is sourced from PubChem (CID 155490535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).