11-(trifluoromethylsulfanyl)undecan-1-ol

C12H23F3OS — CID 86637529

IUPAC11-(trifluoromethylsulfanyl)undecan-1-ol
SMILESOCCCCCCCCCCCSC(F)(F)F
InChIInChI=1S/C12H23F3OS/c13-12(14,15)17-11-9-7-5-3-1-2-4-6-8-10-16/h16H,1-11H2
InChIKeyWJEDQRSBAMZVJW-UHFFFAOYSA-N
MW272.38 g/mol
LogP4.74
Rot. Bonds11

About 11-(trifluoromethylsulfanyl)undecan-1-ol

11-(trifluoromethylsulfanyl)undecan-1-ol (PubChem CID 86637529) has the molecular formula C12H23F3OS and a molecular weight of 272.38 g/mol. Its IUPAC name is 11-(trifluoromethylsulfanyl)undecan-1-ol.

Molecular Properties

Compound Name11-(trifluoromethylsulfanyl)undecan-1-ol
PubChem CID86637529
Molecular FormulaC12H23F3OS
Molecular Weight272.38 g/mol
Exact Mass272.14
IUPAC Name11-(trifluoromethylsulfanyl)undecan-1-ol
SMILESOCCCCCCCCCCCSC(F)(F)F
InChIInChI=1S/C12H23F3OS/c13-12(14,15)17-11-9-7-5-3-1-2-4-6-8-10-16/h16H,1-11H2
InChIKeyWJEDQRSBAMZVJW-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-(trifluoromethylsulfanyl)undecan-1-ol?
The IUPAC name of 11-(trifluoromethylsulfanyl)undecan-1-ol (CID 86637529) is 11-(trifluoromethylsulfanyl)undecan-1-ol.
What is the SMILES notation for 11-(trifluoromethylsulfanyl)undecan-1-ol?
The canonical SMILES for 11-(trifluoromethylsulfanyl)undecan-1-ol is OCCCCCCCCCCCSC(F)(F)F.
What is the InChIKey of 11-(trifluoromethylsulfanyl)undecan-1-ol?
The InChIKey is WJEDQRSBAMZVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3OS/c13-12(14,15)17-11-9-7-5-3-1-2-4-6-8-10-16/h16H,1-11H2.
What are the key properties of 11-(trifluoromethylsulfanyl)undecan-1-ol?
11-(trifluoromethylsulfanyl)undecan-1-ol has a molecular weight of 272.38 g/mol, XLogP of 4.74, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(trifluoromethylsulfanyl)undecan-1-ol is sourced from PubChem (CID 86637529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).