bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane

C22H20Br2F2Si — CID 58692112

IUPACbis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cc(F)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(F)cc21
InChIInChI=1S/C22H20Br2F2Si/c1-11-5-15-17(7-13(25)9-19(15)23)21(11)27(3,4)22-12(2)6-16-18(22)8-14(26)10-20(16)24/h5-10,21-22H,1-4H3
InChIKeyCHMBTRUQLBHIJH-UHFFFAOYSA-N
MW510.29 g/mol
LogP7.98
Rot. Bonds2

About bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane

bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 58692112) has the molecular formula C22H20Br2F2Si and a molecular weight of 510.29 g/mol. Its IUPAC name is bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Namebis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
PubChem CID58692112
Molecular FormulaC22H20Br2F2Si
Molecular Weight510.29 g/mol
Exact Mass507.97
IUPAC Namebis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(Br)cc(F)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(F)cc21
InChIInChI=1S/C22H20Br2F2Si/c1-11-5-15-17(7-13(25)9-19(15)23)21(11)27(3,4)22-12(2)6-16-18(22)8-14(26)10-20(16)24/h5-10,21-22H,1-4H3
InChIKeyCHMBTRUQLBHIJH-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.29
LogP ≤ 57.98
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-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane (CID 58692112) is bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane is CC1=Cc2c(Br)cc(F)cc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cc(F)cc21.
What is the InChIKey of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is CHMBTRUQLBHIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2F2Si/c1-11-5-15-17(7-13(25)9-19(15)23)21(11)27(3,4)22-12(2)6-16-18(22)8-14(26)10-20(16)24/h5-10,21-22H,1-4H3.
What are the key properties of bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 510.29 g/mol, XLogP of 7.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromo-6-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 58692112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).