1-methylsulfinyl-4-(trifluoromethyl)benzene

C8H7F3OS — CID 69016885

IUPAC1-methylsulfinyl-4-(trifluoromethyl)benzene
SMILESCS(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3OS/c1-13(12)7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKeyTYBJALVBFFKCCZ-UHFFFAOYSA-N
MW208.20 g/mol
LogP2.44
Rot. Bonds1

About 1-methylsulfinyl-4-(trifluoromethyl)benzene

1-methylsulfinyl-4-(trifluoromethyl)benzene (PubChem CID 69016885) has the molecular formula C8H7F3OS and a molecular weight of 208.20 g/mol. Its IUPAC name is 1-methylsulfinyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methylsulfinyl-4-(trifluoromethyl)benzene
PubChem CID69016885
Molecular FormulaC8H7F3OS
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name1-methylsulfinyl-4-(trifluoromethyl)benzene
SMILESCS(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H7F3OS/c1-13(12)7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3
InChIKeyTYBJALVBFFKCCZ-UHFFFAOYSA-N
XLogP2.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfinyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methylsulfinyl-4-(trifluoromethyl)benzene (CID 69016885) is 1-methylsulfinyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methylsulfinyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methylsulfinyl-4-(trifluoromethyl)benzene is CS(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methylsulfinyl-4-(trifluoromethyl)benzene?
The InChIKey is TYBJALVBFFKCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3OS/c1-13(12)7-4-2-6(3-5-7)8(9,10)11/h2-5H,1H3.
What are the key properties of 1-methylsulfinyl-4-(trifluoromethyl)benzene?
1-methylsulfinyl-4-(trifluoromethyl)benzene has a molecular weight of 208.20 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfinyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 69016885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).