1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane

C11H17F7S — CID 15711440

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane
SMILESCCCCCCCCSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F7S/c1-2-3-4-5-6-7-8-19-11(17,18)9(12,13)10(14,15)16/h2-8H2,1H3
InChIKeyRIEUJOPBQXMGAK-UHFFFAOYSA-N
MW314.31 g/mol
LogP5.87
Rot. Bonds9

About 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane

1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane (PubChem CID 15711440) has the molecular formula C11H17F7S and a molecular weight of 314.31 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane
PubChem CID15711440
Molecular FormulaC11H17F7S
Molecular Weight314.31 g/mol
Exact Mass314.09
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane
SMILESCCCCCCCCSC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F7S/c1-2-3-4-5-6-7-8-19-11(17,18)9(12,13)10(14,15)16/h2-8H2,1H3
InChIKeyRIEUJOPBQXMGAK-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.31
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane (CID 15711440) is 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane is CCCCCCCCSC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane?
The InChIKey is RIEUJOPBQXMGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7S/c1-2-3-4-5-6-7-8-19-11(17,18)9(12,13)10(14,15)16/h2-8H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane?
1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane has a molecular weight of 314.31 g/mol, XLogP of 5.87, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)octane is sourced from PubChem (CID 15711440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).