4-phenoxybutane-1-sulfonyl fluoride

C10H13FO3S — CID 25017610

IUPAC4-phenoxybutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCOc1ccccc1
InChIInChI=1S/C10H13FO3S/c11-15(12,13)9-5-4-8-14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyIMJBOORENPVESG-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.14
Rot. Bonds6

About 4-phenoxybutane-1-sulfonyl fluoride

4-phenoxybutane-1-sulfonyl fluoride (PubChem CID 25017610) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-phenoxybutane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-phenoxybutane-1-sulfonyl fluoride
PubChem CID25017610
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name4-phenoxybutane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCOc1ccccc1
InChIInChI=1S/C10H13FO3S/c11-15(12,13)9-5-4-8-14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKeyIMJBOORENPVESG-UHFFFAOYSA-N
XLogP2.14
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.14
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-phenoxybutane-1-sulfonyl fluoride?
The IUPAC name of 4-phenoxybutane-1-sulfonyl fluoride (CID 25017610) is 4-phenoxybutane-1-sulfonyl fluoride.
What is the SMILES notation for 4-phenoxybutane-1-sulfonyl fluoride?
The canonical SMILES for 4-phenoxybutane-1-sulfonyl fluoride is O=S(=O)(F)CCCCOc1ccccc1.
What is the InChIKey of 4-phenoxybutane-1-sulfonyl fluoride?
The InChIKey is IMJBOORENPVESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c11-15(12,13)9-5-4-8-14-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2.
What are the key properties of 4-phenoxybutane-1-sulfonyl fluoride?
4-phenoxybutane-1-sulfonyl fluoride has a molecular weight of 232.28 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxybutane-1-sulfonyl fluoride is sourced from PubChem (CID 25017610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).