8-phenyloctane-1-sulfonyl fluoride

C14H21FO2S — CID 25017078

IUPAC8-phenyloctane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCCc1ccccc1
InChIInChI=1S/C14H21FO2S/c15-18(16,17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
InChIKeyZKKIPZITHIMMRA-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.87
Rot. Bonds9

About 8-phenyloctane-1-sulfonyl fluoride

8-phenyloctane-1-sulfonyl fluoride (PubChem CID 25017078) has the molecular formula C14H21FO2S and a molecular weight of 272.38 g/mol. Its IUPAC name is 8-phenyloctane-1-sulfonyl fluoride.

Molecular Properties

Compound Name8-phenyloctane-1-sulfonyl fluoride
PubChem CID25017078
Molecular FormulaC14H21FO2S
Molecular Weight272.38 g/mol
Exact Mass272.12
IUPAC Name8-phenyloctane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCCCc1ccccc1
InChIInChI=1S/C14H21FO2S/c15-18(16,17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
InChIKeyZKKIPZITHIMMRA-UHFFFAOYSA-N
XLogP3.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
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 8-phenyloctane-1-sulfonyl fluoride?
The IUPAC name of 8-phenyloctane-1-sulfonyl fluoride (CID 25017078) is 8-phenyloctane-1-sulfonyl fluoride.
What is the SMILES notation for 8-phenyloctane-1-sulfonyl fluoride?
The canonical SMILES for 8-phenyloctane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCCCCc1ccccc1.
What is the InChIKey of 8-phenyloctane-1-sulfonyl fluoride?
The InChIKey is ZKKIPZITHIMMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2S/c15-18(16,17)13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2.
What are the key properties of 8-phenyloctane-1-sulfonyl fluoride?
8-phenyloctane-1-sulfonyl fluoride has a molecular weight of 272.38 g/mol, XLogP of 3.87, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyloctane-1-sulfonyl fluoride is sourced from PubChem (CID 25017078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).