1-fluoro-4-methylsulfonylnaphthalene

C11H8FO2S+ — CID 142919338

IUPAC1-fluoro-4-methylsulfonylnaphthalene
SMILES[CH2+]S(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C11H8FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H2/q+1
InChIKeyLOVPWGDWGHPONG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.54
Rot. Bonds1

About 1-fluoro-4-methylsulfonylnaphthalene

1-fluoro-4-methylsulfonylnaphthalene (PubChem CID 142919338) has the molecular formula C11H8FO2S+ and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfonylnaphthalene.

Molecular Properties

Compound Name1-fluoro-4-methylsulfonylnaphthalene
PubChem CID142919338
Molecular FormulaC11H8FO2S+
Molecular Weight223.25 g/mol
Exact Mass223.02
IUPAC Name1-fluoro-4-methylsulfonylnaphthalene
SMILES[CH2+]S(=O)(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C11H8FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H2/q+1
InChIKeyLOVPWGDWGHPONG-UHFFFAOYSA-N
XLogP2.54
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfonylnaphthalene?
The IUPAC name of 1-fluoro-4-methylsulfonylnaphthalene (CID 142919338) is 1-fluoro-4-methylsulfonylnaphthalene.
What is the SMILES notation for 1-fluoro-4-methylsulfonylnaphthalene?
The canonical SMILES for 1-fluoro-4-methylsulfonylnaphthalene is [CH2+]S(=O)(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of 1-fluoro-4-methylsulfonylnaphthalene?
The InChIKey is LOVPWGDWGHPONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FO2S/c1-15(13,14)11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7H,1H2/q+1.
What are the key properties of 1-fluoro-4-methylsulfonylnaphthalene?
1-fluoro-4-methylsulfonylnaphthalene has a molecular weight of 223.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfonylnaphthalene is sourced from PubChem (CID 142919338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).