11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol

C14H27F3OS — CID 86637533

IUPAC11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol
SMILESOCCCCCCCCCCCSCCC(F)(F)F
InChIInChI=1S/C14H27F3OS/c15-14(16,17)10-13-19-12-9-7-5-3-1-2-4-6-8-11-18/h18H,1-13H2
InChIKeyPSAVIMBRJFQGEM-UHFFFAOYSA-N
MW300.43 g/mol
LogP5.18
Rot. Bonds13

About 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol

11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol (PubChem CID 86637533) has the molecular formula C14H27F3OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol.

Molecular Properties

Compound Name11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol
PubChem CID86637533
Molecular FormulaC14H27F3OS
Molecular Weight300.43 g/mol
Exact Mass300.17
IUPAC Name11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol
SMILESOCCCCCCCCCCCSCCC(F)(F)F
InChIInChI=1S/C14H27F3OS/c15-14(16,17)10-13-19-12-9-7-5-3-1-2-4-6-8-11-18/h18H,1-13H2
InChIKeyPSAVIMBRJFQGEM-UHFFFAOYSA-N
XLogP5.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.43
LogP ≤ 55.18
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-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol?
The IUPAC name of 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol (CID 86637533) is 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol.
What is the SMILES notation for 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol?
The canonical SMILES for 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol is OCCCCCCCCCCCSCCC(F)(F)F.
What is the InChIKey of 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol?
The InChIKey is PSAVIMBRJFQGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3OS/c15-14(16,17)10-13-19-12-9-7-5-3-1-2-4-6-8-11-18/h18H,1-13H2.
What are the key properties of 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol?
11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol has a molecular weight of 300.43 g/mol, XLogP of 5.18, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(3,3,3-trifluoropropylsulfanyl)undecan-1-ol is sourced from PubChem (CID 86637533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).