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-enylsulfanyl)hept-1-ene

C14H4F22S — CID 155490803

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-enylsulfanyl)hept-1-ene
SMILESFC(=CSC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H4F22S/c15-3(7(21,22)11(29,30)13(33,34)9(25,26)5(17)18)1-37-2-4(16)8(23,24)12(31,32)14(35,36)10(27,28)6(19)20/h1-2,5-6H
InChIKeyWDBISDKKOCNXJY-UHFFFAOYSA-N
MW622.21 g/mol
LogP8.95
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-enylsulfanyl)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-enylsulfanyl)hept-1-ene (PubChem CID 155490803) has the molecular formula C14H4F22S and a molecular weight of 622.21 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-enylsulfanyl)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-enylsulfanyl)hept-1-ene
PubChem CID155490803
Molecular FormulaC14H4F22S
Molecular Weight622.21 g/mol
Exact Mass621.97
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-enylsulfanyl)hept-1-ene
SMILESFC(=CSC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C14H4F22S/c15-3(7(21,22)11(29,30)13(33,34)9(25,26)5(17)18)1-37-2-4(16)8(23,24)12(31,32)14(35,36)10(27,28)6(19)20/h1-2,5-6H
InChIKeyWDBISDKKOCNXJY-UHFFFAOYSA-N
XLogP8.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.21
LogP ≤ 58.95
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-enylsulfanyl)hept-1-ene with MolForge

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Related Compounds

(E)-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-methylsulfanyloct-1-ene
CID 134933377
Bis(2,3,3,4,4,5,5,6,6,7,7-undecafluorohept-1-en-1-yl) sulfoxide
CID 155490819
2,4,4,4-Tetrafluoro-1-(2,4,4,4-tetrafluorobut-1-enylsulfanyl)but-1-ene
CID 90745204

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-enylsulfanyl)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-enylsulfanyl)hept-1-ene (CID 155490803) 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-enylsulfanyl)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-enylsulfanyl)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-enylsulfanyl)hept-1-ene is FC(=CSC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)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-enylsulfanyl)hept-1-ene?
The InChIKey is WDBISDKKOCNXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F22S/c15-3(7(21,22)11(29,30)13(33,34)9(25,26)5(17)18)1-37-2-4(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-enylsulfanyl)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-enylsulfanyl)hept-1-ene has a molecular weight of 622.21 g/mol, XLogP of 8.95, 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-enylsulfanyl)hept-1-ene is sourced from PubChem (CID 155490803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).