5-hydroxypentane-1-sulfonyl fluoride

C5H11FO3S — CID 173312656

IUPAC5-hydroxypentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCO
InChIInChI=1S/C5H11FO3S/c6-10(8,9)5-3-1-2-4-7/h7H,1-5H2
InChIKeyYMXNIIJXUMSSOZ-UHFFFAOYSA-N
MW170.20 g/mol
LogP0.45
Rot. Bonds5

About 5-hydroxypentane-1-sulfonyl fluoride

5-hydroxypentane-1-sulfonyl fluoride (PubChem CID 173312656) has the molecular formula C5H11FO3S and a molecular weight of 170.20 g/mol. Its IUPAC name is 5-hydroxypentane-1-sulfonyl fluoride.

Molecular Properties

Compound Name5-hydroxypentane-1-sulfonyl fluoride
PubChem CID173312656
Molecular FormulaC5H11FO3S
Molecular Weight170.20 g/mol
Exact Mass170.04
IUPAC Name5-hydroxypentane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCO
InChIInChI=1S/C5H11FO3S/c6-10(8,9)5-3-1-2-4-7/h7H,1-5H2
InChIKeyYMXNIIJXUMSSOZ-UHFFFAOYSA-N
XLogP0.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 50.45
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-hydroxypentane-1-sulfonyl fluoride?
The IUPAC name of 5-hydroxypentane-1-sulfonyl fluoride (CID 173312656) is 5-hydroxypentane-1-sulfonyl fluoride.
What is the SMILES notation for 5-hydroxypentane-1-sulfonyl fluoride?
The canonical SMILES for 5-hydroxypentane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCO.
What is the InChIKey of 5-hydroxypentane-1-sulfonyl fluoride?
The InChIKey is YMXNIIJXUMSSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO3S/c6-10(8,9)5-3-1-2-4-7/h7H,1-5H2.
What are the key properties of 5-hydroxypentane-1-sulfonyl fluoride?
5-hydroxypentane-1-sulfonyl fluoride has a molecular weight of 170.20 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxypentane-1-sulfonyl fluoride is sourced from PubChem (CID 173312656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).