10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol

C15H27F5OS — CID 142045722

IUPAC10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol
SMILESOCCCCCCCCCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H27F5OS/c16-14(17,15(18,19)20)10-9-13-22-12-8-6-4-2-1-3-5-7-11-21/h21H,1-13H2
InChIKeyQTUDXHREYSNRDM-UHFFFAOYSA-N
MW350.44 g/mol
LogP5.81
Rot. Bonds14

About 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol

10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol (PubChem CID 142045722) has the molecular formula C15H27F5OS and a molecular weight of 350.44 g/mol. Its IUPAC name is 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol.

Molecular Properties

Compound Name10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol
PubChem CID142045722
Molecular FormulaC15H27F5OS
Molecular Weight350.44 g/mol
Exact Mass350.17
IUPAC Name10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol
SMILESOCCCCCCCCCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C15H27F5OS/c16-14(17,15(18,19)20)10-9-13-22-12-8-6-4-2-1-3-5-7-11-21/h21H,1-13H2
InChIKeyQTUDXHREYSNRDM-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol?
The IUPAC name of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol (CID 142045722) is 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol.
What is the SMILES notation for 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol?
The canonical SMILES for 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol is OCCCCCCCCCCSCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol?
The InChIKey is QTUDXHREYSNRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F5OS/c16-14(17,15(18,19)20)10-9-13-22-12-8-6-4-2-1-3-5-7-11-21/h21H,1-13H2.
What are the key properties of 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol?
10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol has a molecular weight of 350.44 g/mol, XLogP of 5.81, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4,4,5,5,5-pentafluoropentylsulfanyl)decan-1-ol is sourced from PubChem (CID 142045722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).