1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene

C14H13FO2S — CID 137364059

IUPAC1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene
SMILESCS(=O)c1ccc(-c2ccccc2OCF)cc1
InChIInChI=1S/C14H13FO2S/c1-18(16)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17-10-15/h2-9H,10H2,1H3
InChIKeyHFUHSBKFTPNPCY-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.40
Rot. Bonds4

About 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene

1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene (PubChem CID 137364059) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene.

Molecular Properties

Compound Name1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene
PubChem CID137364059
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene
SMILESCS(=O)c1ccc(-c2ccccc2OCF)cc1
InChIInChI=1S/C14H13FO2S/c1-18(16)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17-10-15/h2-9H,10H2,1H3
InChIKeyHFUHSBKFTPNPCY-UHFFFAOYSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene?
The IUPAC name of 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene (CID 137364059) is 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene.
What is the SMILES notation for 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene?
The canonical SMILES for 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene is CS(=O)c1ccc(-c2ccccc2OCF)cc1.
What is the InChIKey of 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene?
The InChIKey is HFUHSBKFTPNPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-18(16)12-8-6-11(7-9-12)13-4-2-3-5-14(13)17-10-15/h2-9H,10H2,1H3.
What are the key properties of 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene?
1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene has a molecular weight of 264.32 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2-(4-methylsulfinylphenyl)benzene is sourced from PubChem (CID 137364059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).