1-fluoro-4-(4-methylsulfonylphenoxy)benzene

C13H11FO3S — CID 21200768

IUPAC1-fluoro-4-(4-methylsulfonylphenoxy)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,1H3
InChIKeyMSXOORJVMJICQZ-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.02
Rot. Bonds3

About 1-fluoro-4-(4-methylsulfonylphenoxy)benzene

1-fluoro-4-(4-methylsulfonylphenoxy)benzene (PubChem CID 21200768) has the molecular formula C13H11FO3S and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-fluoro-4-(4-methylsulfonylphenoxy)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-methylsulfonylphenoxy)benzene
PubChem CID21200768
Molecular FormulaC13H11FO3S
Molecular Weight266.29 g/mol
Exact Mass266.04
IUPAC Name1-fluoro-4-(4-methylsulfonylphenoxy)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C13H11FO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,1H3
InChIKeyMSXOORJVMJICQZ-UHFFFAOYSA-N
XLogP3.02
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-methylsulfonylphenoxy)benzene?
The IUPAC name of 1-fluoro-4-(4-methylsulfonylphenoxy)benzene (CID 21200768) is 1-fluoro-4-(4-methylsulfonylphenoxy)benzene.
What is the SMILES notation for 1-fluoro-4-(4-methylsulfonylphenoxy)benzene?
The canonical SMILES for 1-fluoro-4-(4-methylsulfonylphenoxy)benzene is CS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-(4-methylsulfonylphenoxy)benzene?
The InChIKey is MSXOORJVMJICQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO3S/c1-18(15,16)13-8-6-12(7-9-13)17-11-4-2-10(14)3-5-11/h2-9H,1H3.
What are the key properties of 1-fluoro-4-(4-methylsulfonylphenoxy)benzene?
1-fluoro-4-(4-methylsulfonylphenoxy)benzene has a molecular weight of 266.29 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-methylsulfonylphenoxy)benzene is sourced from PubChem (CID 21200768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).