1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene

C8H5Br2F3OS — CID 11314555

IUPAC1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene
SMILESCc1cc(Br)cc(Br)c1S(=O)C(F)(F)F
InChIInChI=1S/C8H5Br2F3OS/c1-4-2-5(9)3-6(10)7(4)15(14)8(11,12)13/h2-3H,1H3
InChIKeyQPAGZIQQBITHDX-UHFFFAOYSA-N
MW366.00 g/mol
LogP4.15
Rot. Bonds1

About 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene

1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene (PubChem CID 11314555) has the molecular formula C8H5Br2F3OS and a molecular weight of 366.00 g/mol. Its IUPAC name is 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene
PubChem CID11314555
Molecular FormulaC8H5Br2F3OS
Molecular Weight366.00 g/mol
Exact Mass363.84
IUPAC Name1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene
SMILESCc1cc(Br)cc(Br)c1S(=O)C(F)(F)F
InChIInChI=1S/C8H5Br2F3OS/c1-4-2-5(9)3-6(10)7(4)15(14)8(11,12)13/h2-3H,1H3
InChIKeyQPAGZIQQBITHDX-UHFFFAOYSA-N
XLogP4.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.00
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene?
The IUPAC name of 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene (CID 11314555) is 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene.
What is the SMILES notation for 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene?
The canonical SMILES for 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene is Cc1cc(Br)cc(Br)c1S(=O)C(F)(F)F.
What is the InChIKey of 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene?
The InChIKey is QPAGZIQQBITHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2F3OS/c1-4-2-5(9)3-6(10)7(4)15(14)8(11,12)13/h2-3H,1H3.
What are the key properties of 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene?
1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene has a molecular weight of 366.00 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-methyl-2-(trifluoromethylsulfinyl)benzene is sourced from PubChem (CID 11314555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).