9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol

C14H25F5OS — CID 53486377

IUPAC9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol
SMILESOCCCCCCCCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H25F5OS/c15-13(16,14(17,18)19)9-8-12-21-11-7-5-3-1-2-4-6-10-20/h20H,1-12H2
InChIKeyAZSKACXKBRDCBY-UHFFFAOYSA-N
MW336.41 g/mol
LogP5.42
Rot. Bonds13

About 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol

9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol (PubChem CID 53486377) has the molecular formula C14H25F5OS and a molecular weight of 336.41 g/mol. Its IUPAC name is 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol.

Molecular Properties

Compound Name9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol
PubChem CID53486377
Molecular FormulaC14H25F5OS
Molecular Weight336.41 g/mol
Exact Mass336.15
IUPAC Name9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol
SMILESOCCCCCCCCCSCCCC(F)(F)C(F)(F)F
InChIInChI=1S/C14H25F5OS/c15-13(16,14(17,18)19)9-8-12-21-11-7-5-3-1-2-4-6-10-20/h20H,1-12H2
InChIKeyAZSKACXKBRDCBY-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.41
LogP ≤ 55.42
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 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol?
The IUPAC name of 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol (CID 53486377) is 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol.
What is the SMILES notation for 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol?
The canonical SMILES for 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol is OCCCCCCCCCSCCCC(F)(F)C(F)(F)F.
What is the InChIKey of 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol?
The InChIKey is AZSKACXKBRDCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F5OS/c15-13(16,14(17,18)19)9-8-12-21-11-7-5-3-1-2-4-6-10-20/h20H,1-12H2.
What are the key properties of 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol?
9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol has a molecular weight of 336.41 g/mol, XLogP of 5.42, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,4,5,5,5-pentafluoropentylsulfanyl)nonan-1-ol is sourced from PubChem (CID 53486377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).