(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane

C23H22BrF3Si — CID 67039251

IUPAC(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cccc2C(F)(F)F
InChIInChI=1S/C23H22BrF3Si/c1-13-11-17-15(7-5-9-19(17)23(25,26)27)21(13)28(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3
InChIKeyHZQQEFFYGGHIII-UHFFFAOYSA-N
MW463.41 g/mol
LogP7.96
Rot. Bonds2

About (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane

(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane (PubChem CID 67039251) has the molecular formula C23H22BrF3Si and a molecular weight of 463.41 g/mol. Its IUPAC name is (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane.

Molecular Properties

Compound Name(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
PubChem CID67039251
Molecular FormulaC23H22BrF3Si
Molecular Weight463.41 g/mol
Exact Mass462.06
IUPAC Name(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane
SMILESCC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cccc2C(F)(F)F
InChIInChI=1S/C23H22BrF3Si/c1-13-11-17-15(7-5-9-19(17)23(25,26)27)21(13)28(3,4)22-14(2)12-18-16(22)8-6-10-20(18)24/h5-12,21-22H,1-4H3
InChIKeyHZQQEFFYGGHIII-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.41
LogP ≤ 57.96
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)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
The IUPAC name of (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane (CID 67039251) is (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane.
What is the SMILES notation for (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
The canonical SMILES for (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane is CC1=Cc2c(Br)cccc2C1[Si](C)(C)C1C(C)=Cc2c1cccc2C(F)(F)F.
What is the InChIKey of (4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
The InChIKey is HZQQEFFYGGHIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrF3Si/c1-13-11-17-15(7-5-9-19(17)23(25,26)27)21(13)28(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)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane?
(4-bromo-2-methyl-1H-inden-1-yl)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane has a molecular weight of 463.41 g/mol, XLogP of 7.96, 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)-dimethyl-[2-methyl-4-(trifluoromethyl)-1H-inden-1-yl]silane is sourced from PubChem (CID 67039251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).