2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol

C7H11F5OS — CID 22033252

IUPAC2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol
SMILESOCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5OS/c8-6(9,7(10,11)12)2-1-4-14-5-3-13/h13H,1-5H2
InChIKeyDANBWFKWPZZVRB-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.69
Rot. Bonds6

About 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol

2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol (PubChem CID 22033252) has the molecular formula C7H11F5OS and a molecular weight of 238.22 g/mol. Its IUPAC name is 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol.

Molecular Properties

Compound Name2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol
PubChem CID22033252
Molecular FormulaC7H11F5OS
Molecular Weight238.22 g/mol
Exact Mass238.05
IUPAC Name2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol
SMILESOCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C7H11F5OS/c8-6(9,7(10,11)12)2-1-4-14-5-3-13/h13H,1-5H2
InChIKeyDANBWFKWPZZVRB-UHFFFAOYSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.69
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 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol?
The IUPAC name of 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol (CID 22033252) is 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol.
What is the SMILES notation for 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol?
The canonical SMILES for 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol is OCCSCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol?
The InChIKey is DANBWFKWPZZVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5OS/c8-6(9,7(10,11)12)2-1-4-14-5-3-13/h13H,1-5H2.
What are the key properties of 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol?
2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol has a molecular weight of 238.22 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,5,5,5-pentafluoropentylsulfanyl)ethanol is sourced from PubChem (CID 22033252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).