5-(trifluoromethylsulfonyl)pentan-1-ol

C6H11F3O3S — CID 54221954

IUPAC5-(trifluoromethylsulfonyl)pentan-1-ol
SMILESO=S(=O)(CCCCCO)C(F)(F)F
InChIInChI=1S/C6H11F3O3S/c7-6(8,9)13(11,12)5-3-1-2-4-10/h10H,1-5H2
InChIKeyQDFOFRTVDXSWCQ-UHFFFAOYSA-N
MW220.21 g/mol
LogP1.08
Rot. Bonds5

About 5-(trifluoromethylsulfonyl)pentan-1-ol

5-(trifluoromethylsulfonyl)pentan-1-ol (PubChem CID 54221954) has the molecular formula C6H11F3O3S and a molecular weight of 220.21 g/mol. Its IUPAC name is 5-(trifluoromethylsulfonyl)pentan-1-ol.

Molecular Properties

Compound Name5-(trifluoromethylsulfonyl)pentan-1-ol
PubChem CID54221954
Molecular FormulaC6H11F3O3S
Molecular Weight220.21 g/mol
Exact Mass220.04
IUPAC Name5-(trifluoromethylsulfonyl)pentan-1-ol
SMILESO=S(=O)(CCCCCO)C(F)(F)F
InChIInChI=1S/C6H11F3O3S/c7-6(8,9)13(11,12)5-3-1-2-4-10/h10H,1-5H2
InChIKeyQDFOFRTVDXSWCQ-UHFFFAOYSA-N
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(trifluoromethylsulfonyl)pentan-1-ol?
The IUPAC name of 5-(trifluoromethylsulfonyl)pentan-1-ol (CID 54221954) is 5-(trifluoromethylsulfonyl)pentan-1-ol.
What is the SMILES notation for 5-(trifluoromethylsulfonyl)pentan-1-ol?
The canonical SMILES for 5-(trifluoromethylsulfonyl)pentan-1-ol is O=S(=O)(CCCCCO)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethylsulfonyl)pentan-1-ol?
The InChIKey is QDFOFRTVDXSWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O3S/c7-6(8,9)13(11,12)5-3-1-2-4-10/h10H,1-5H2.
What are the key properties of 5-(trifluoromethylsulfonyl)pentan-1-ol?
5-(trifluoromethylsulfonyl)pentan-1-ol has a molecular weight of 220.21 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfonyl)pentan-1-ol is sourced from PubChem (CID 54221954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).