6-phenylhexane-1-sulfonyl fluoride

C12H17FO2S — CID 71453863

IUPAC6-phenylhexane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCc1ccccc1
InChIInChI=1S/C12H17FO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKeyUMHRRMYEVADXPM-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.09
Rot. Bonds7

About 6-phenylhexane-1-sulfonyl fluoride

6-phenylhexane-1-sulfonyl fluoride (PubChem CID 71453863) has the molecular formula C12H17FO2S and a molecular weight of 244.33 g/mol. Its IUPAC name is 6-phenylhexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name6-phenylhexane-1-sulfonyl fluoride
PubChem CID71453863
Molecular FormulaC12H17FO2S
Molecular Weight244.33 g/mol
Exact Mass244.09
IUPAC Name6-phenylhexane-1-sulfonyl fluoride
SMILESO=S(=O)(F)CCCCCCc1ccccc1
InChIInChI=1S/C12H17FO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2
InChIKeyUMHRRMYEVADXPM-UHFFFAOYSA-N
XLogP3.09
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.09
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 6-phenylhexane-1-sulfonyl fluoride?
The IUPAC name of 6-phenylhexane-1-sulfonyl fluoride (CID 71453863) is 6-phenylhexane-1-sulfonyl fluoride.
What is the SMILES notation for 6-phenylhexane-1-sulfonyl fluoride?
The canonical SMILES for 6-phenylhexane-1-sulfonyl fluoride is O=S(=O)(F)CCCCCCc1ccccc1.
What is the InChIKey of 6-phenylhexane-1-sulfonyl fluoride?
The InChIKey is UMHRRMYEVADXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2S/c13-16(14,15)11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2.
What are the key properties of 6-phenylhexane-1-sulfonyl fluoride?
6-phenylhexane-1-sulfonyl fluoride has a molecular weight of 244.33 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylhexane-1-sulfonyl fluoride is sourced from PubChem (CID 71453863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).