bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane

C24H20Br2F6Si — CID 87245404

IUPACbis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane
SMILESCC1=Cc2c(Br)cc(C(F)(F)F)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(C(F)(F)F)cc21
InChIInChI=1S/C24H20Br2F6Si/c1-11-5-15-17(7-13(9-19(15)25)23(27,28)29)21(11)33(3,4)22-12(2)6-16-18(22)8-14(10-20(16)26)24(30,31)32/h5-10,21-22H,1-4H3
InChIKeyPLONEOAAXJEXBA-UHFFFAOYSA-N
MW610.31 g/mol
LogP9.74
Rot. Bonds2

About bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane

bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane (PubChem CID 87245404) has the molecular formula C24H20Br2F6Si and a molecular weight of 610.31 g/mol. Its IUPAC name is bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane.

Molecular Properties

Compound Namebis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane
PubChem CID87245404
Molecular FormulaC24H20Br2F6Si
Molecular Weight610.31 g/mol
Exact Mass607.96
IUPAC Namebis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane
SMILESCC1=Cc2c(Br)cc(C(F)(F)F)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(C(F)(F)F)cc21
InChIInChI=1S/C24H20Br2F6Si/c1-11-5-15-17(7-13(9-19(15)25)23(27,28)29)21(11)33(3,4)22-12(2)6-16-18(22)8-14(10-20(16)26)24(30,31)32/h5-10,21-22H,1-4H3
InChIKeyPLONEOAAXJEXBA-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.31
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane?
The IUPAC name of bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane (CID 87245404) is bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane.
What is the SMILES notation for bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane?
The canonical SMILES for bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane is CC1=Cc2c(Br)cc(C(F)(F)F)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(C(F)(F)F)cc21.
What is the InChIKey of bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane?
The InChIKey is PLONEOAAXJEXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Br2F6Si/c1-11-5-15-17(7-13(9-19(15)25)23(27,28)29)21(11)33(3,4)22-12(2)6-16-18(22)8-14(10-20(16)26)24(30,31)32/h5-10,21-22H,1-4H3.
What are the key properties of bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane?
bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane has a molecular weight of 610.31 g/mol, XLogP of 9.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-bromo-2-methyl-6-(trifluoromethyl)-1H-inden-1-yl]-dimethylsilane is sourced from PubChem (CID 87245404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).