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

C22H22BrFSi — CID 67039256

IUPAC(4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(F)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C22H22BrFSi/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3
InChIKeyBLXYFNHGANKEAR-UHFFFAOYSA-N
MW413.41 g/mol
LogP7.08
Rot. Bonds2

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

(4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane (PubChem CID 67039256) has the molecular formula C22H22BrFSi and a molecular weight of 413.41 g/mol. Its IUPAC name is (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane.

Molecular Properties

Compound Name(4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
PubChem CID67039256
Molecular FormulaC22H22BrFSi
Molecular Weight413.41 g/mol
Exact Mass412.07
IUPAC Name(4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane
SMILESCC1=Cc2c(F)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C22H22BrFSi/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3
InChIKeyBLXYFNHGANKEAR-UHFFFAOYSA-N
XLogP7.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 57.08
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 (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
The IUPAC name of (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane (CID 67039256) is (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane is CC1=Cc2c(F)cccc2C1[Si](C)(C)C1C(C)=Cc2c(Br)cccc21.
What is the InChIKey of (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
The InChIKey is BLXYFNHGANKEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22BrFSi/c1-13-11-17-15(7-5-9-19(17)23)21(13)25(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3.
What are the key properties of (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane?
(4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane has a molecular weight of 413.41 g/mol, XLogP of 7.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methyl-1H-inden-1-yl)-(4-fluoro-2-methyl-1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 67039256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).