4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene

C9H9F3O2S — CID 142140660

IUPAC4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)c(S(C)=O)c1
InChIInChI=1S/C9H9F3O2S/c1-6-3-4-7(14-9(10,11)12)8(5-6)15(2)13/h3-5H,1-2H3
InChIKeyYWOURMYRMAXACS-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.63
Rot. Bonds2

About 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene

4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene (PubChem CID 142140660) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene
PubChem CID142140660
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene
SMILESCc1ccc(OC(F)(F)F)c(S(C)=O)c1
InChIInChI=1S/C9H9F3O2S/c1-6-3-4-7(14-9(10,11)12)8(5-6)15(2)13/h3-5H,1-2H3
InChIKeyYWOURMYRMAXACS-UHFFFAOYSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene (CID 142140660) is 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene is Cc1ccc(OC(F)(F)F)c(S(C)=O)c1.
What is the InChIKey of 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene?
The InChIKey is YWOURMYRMAXACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c1-6-3-4-7(14-9(10,11)12)8(5-6)15(2)13/h3-5H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene?
4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene has a molecular weight of 238.23 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfinyl-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 142140660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).