4-butoxybutane-1-sulfonyl fluoride

C8H17FO3S — CID 152555386

IUPAC4-butoxybutane-1-sulfonyl fluoride
SMILESCCCCOCCCCS(=O)(=O)F
InChIInChI=1S/C8H17FO3S/c1-2-3-6-12-7-4-5-8-13(9,10)11/h2-8H2,1H3
InChIKeyYOJHQMNBXMAWAA-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.88
Rot. Bonds8

About 4-butoxybutane-1-sulfonyl fluoride

4-butoxybutane-1-sulfonyl fluoride (PubChem CID 152555386) has the molecular formula C8H17FO3S and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-butoxybutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-butoxybutane-1-sulfonyl fluoride
PubChem CID152555386
Molecular FormulaC8H17FO3S
Molecular Weight212.29 g/mol
Exact Mass212.09
IUPAC Name4-butoxybutane-1-sulfonyl fluoride
SMILESCCCCOCCCCS(=O)(=O)F
InChIInChI=1S/C8H17FO3S/c1-2-3-6-12-7-4-5-8-13(9,10)11/h2-8H2,1H3
InChIKeyYOJHQMNBXMAWAA-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
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 4-butoxybutane-1-sulfonyl fluoride?
The IUPAC name of 4-butoxybutane-1-sulfonyl fluoride (CID 152555386) is 4-butoxybutane-1-sulfonyl fluoride.
What is the SMILES notation for 4-butoxybutane-1-sulfonyl fluoride?
The canonical SMILES for 4-butoxybutane-1-sulfonyl fluoride is CCCCOCCCCS(=O)(=O)F.
What is the InChIKey of 4-butoxybutane-1-sulfonyl fluoride?
The InChIKey is YOJHQMNBXMAWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO3S/c1-2-3-6-12-7-4-5-8-13(9,10)11/h2-8H2,1H3.
What are the key properties of 4-butoxybutane-1-sulfonyl fluoride?
4-butoxybutane-1-sulfonyl fluoride has a molecular weight of 212.29 g/mol, XLogP of 1.88, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxybutane-1-sulfonyl fluoride is sourced from PubChem (CID 152555386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).