1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene

C23H22BrF — CID 67039322

IUPAC1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene
SMILESCC1=Cc2c(F)cccc2C1C(C)(C)C1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C23H22BrF/c1-13-11-17-15(7-5-9-19(17)24)21(13)23(3,4)22-14(2)12-18-16(22)8-6-10-20(18)25/h5-12,21-22H,1-4H3
InChIKeyHRUTUAJQLQGMJP-UHFFFAOYSA-N
MW397.33 g/mol
LogP7.32
Rot. Bonds2

About 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene

1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene (PubChem CID 67039322) has the molecular formula C23H22BrF and a molecular weight of 397.33 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene.

Molecular Properties

Compound Name1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene
PubChem CID67039322
Molecular FormulaC23H22BrF
Molecular Weight397.33 g/mol
Exact Mass396.09
IUPAC Name1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene
SMILESCC1=Cc2c(F)cccc2C1C(C)(C)C1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C23H22BrF/c1-13-11-17-15(7-5-9-19(17)24)21(13)23(3,4)22-14(2)12-18-16(22)8-6-10-20(18)25/h5-12,21-22H,1-4H3
InChIKeyHRUTUAJQLQGMJP-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.33
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene?
The IUPAC name of 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene (CID 67039322) is 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene.
What is the SMILES notation for 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene?
The canonical SMILES for 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene is CC1=Cc2c(F)cccc2C1C(C)(C)C1C(C)=Cc2c(Br)cccc21.
What is the InChIKey of 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene?
The InChIKey is HRUTUAJQLQGMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrF/c1-13-11-17-15(7-5-9-19(17)24)21(13)23(3,4)22-14(2)12-18-16(22)8-6-10-20(18)25/h5-12,21-22H,1-4H3.
What are the key properties of 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene?
1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene has a molecular weight of 397.33 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-methyl-1H-inden-1-yl)propan-2-yl]-4-fluoro-2-methyl-1H-indene is sourced from PubChem (CID 67039322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).