(7-fluoronaphthalen-1-yl) methanesulfonate

C11H9FO3S — CID 87898850

IUPAC(7-fluoronaphthalen-1-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1cccc2ccc(F)cc12
InChIInChI=1S/C11H9FO3S/c1-16(13,14)15-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-7H,1H3
InChIKeyZLKAGXSGOXUVJR-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.32
Rot. Bonds2

About (7-fluoronaphthalen-1-yl) methanesulfonate

(7-fluoronaphthalen-1-yl) methanesulfonate (PubChem CID 87898850) has the molecular formula C11H9FO3S and a molecular weight of 240.25 g/mol. Its IUPAC name is (7-fluoronaphthalen-1-yl) methanesulfonate.

Molecular Properties

Compound Name(7-fluoronaphthalen-1-yl) methanesulfonate
PubChem CID87898850
Molecular FormulaC11H9FO3S
Molecular Weight240.25 g/mol
Exact Mass240.03
IUPAC Name(7-fluoronaphthalen-1-yl) methanesulfonate
SMILESCS(=O)(=O)Oc1cccc2ccc(F)cc12
InChIInChI=1S/C11H9FO3S/c1-16(13,14)15-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-7H,1H3
InChIKeyZLKAGXSGOXUVJR-UHFFFAOYSA-N
XLogP2.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

[2,3-bis(methylsulfonyloxy)phenyl] methanesulfonate
CID 159669792
(5-methylsulfonyloxynaphthalen-1-yl) methanesulfonate
CID 7314056
1-ethyl-7-fluoronaphthalene
CID 166534047
[3,4,5,7-tetrafluoro-6-(7-fluoronaphthalen-1-yl)-1-hydroxynaphthalen-2-yl] methanesulfonate
CID 155796930
(3-methyl-2-methylsulfonyloxyphenyl) methanesulfonate
CID 89353250
7-fluoro-N-methylnaphthalen-1-amine
CID 131178796
1-(3,3-dimethylbutoxy)-7-fluoronaphthalene
CID 70807978
(1-naphthalen-1-ylnaphthalen-2-yl) methanesulfonate
CID 139754686
phenanthren-9-yl methanesulfonate
CID 18424515
7-fluoro-1-phenylmethoxynaphthalene
CID 154464455
6,7-bis(methylsulfonyloxy)naphthalene-1-sulfonic acid
CID 10092132
1-fluorosulfonyloxynaphthalene
CID 14897549

Frequently Asked Questions

What is the IUPAC name of (7-fluoronaphthalen-1-yl) methanesulfonate?
The IUPAC name of (7-fluoronaphthalen-1-yl) methanesulfonate (CID 87898850) is (7-fluoronaphthalen-1-yl) methanesulfonate.
What is the SMILES notation for (7-fluoronaphthalen-1-yl) methanesulfonate?
The canonical SMILES for (7-fluoronaphthalen-1-yl) methanesulfonate is CS(=O)(=O)Oc1cccc2ccc(F)cc12.
What is the InChIKey of (7-fluoronaphthalen-1-yl) methanesulfonate?
The InChIKey is ZLKAGXSGOXUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3S/c1-16(13,14)15-11-4-2-3-8-5-6-9(12)7-10(8)11/h2-7H,1H3.
What are the key properties of (7-fluoronaphthalen-1-yl) methanesulfonate?
(7-fluoronaphthalen-1-yl) methanesulfonate has a molecular weight of 240.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoronaphthalen-1-yl) methanesulfonate is sourced from PubChem (CID 87898850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).