5-(trifluoromethylsulfanyl)pentan-1-ol

C6H11F3OS — CID 116627276

IUPAC5-(trifluoromethylsulfanyl)pentan-1-ol
SMILESOCCCCCSC(F)(F)F
InChIInChI=1S/C6H11F3OS/c7-6(8,9)11-5-3-1-2-4-10/h10H,1-5H2
InChIKeyQIDXDBMWCCSHGI-UHFFFAOYSA-N
MW188.21 g/mol
LogP2.40
Rot. Bonds5

About 5-(trifluoromethylsulfanyl)pentan-1-ol

5-(trifluoromethylsulfanyl)pentan-1-ol (PubChem CID 116627276) has the molecular formula C6H11F3OS and a molecular weight of 188.21 g/mol. Its IUPAC name is 5-(trifluoromethylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name5-(trifluoromethylsulfanyl)pentan-1-ol
PubChem CID116627276
Molecular FormulaC6H11F3OS
Molecular Weight188.21 g/mol
Exact Mass188.05
IUPAC Name5-(trifluoromethylsulfanyl)pentan-1-ol
SMILESOCCCCCSC(F)(F)F
InChIInChI=1S/C6H11F3OS/c7-6(8,9)11-5-3-1-2-4-10/h10H,1-5H2
InChIKeyQIDXDBMWCCSHGI-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 52.40
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 5-(trifluoromethylsulfanyl)pentan-1-ol?
The IUPAC name of 5-(trifluoromethylsulfanyl)pentan-1-ol (CID 116627276) is 5-(trifluoromethylsulfanyl)pentan-1-ol.
What is the SMILES notation for 5-(trifluoromethylsulfanyl)pentan-1-ol?
The canonical SMILES for 5-(trifluoromethylsulfanyl)pentan-1-ol is OCCCCCSC(F)(F)F.
What is the InChIKey of 5-(trifluoromethylsulfanyl)pentan-1-ol?
The InChIKey is QIDXDBMWCCSHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3OS/c7-6(8,9)11-5-3-1-2-4-10/h10H,1-5H2.
What are the key properties of 5-(trifluoromethylsulfanyl)pentan-1-ol?
5-(trifluoromethylsulfanyl)pentan-1-ol has a molecular weight of 188.21 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfanyl)pentan-1-ol is sourced from PubChem (CID 116627276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).