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

C21H18BrF — CID 67039264

IUPAC1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene
SMILESCC1=Cc2c(F)cccc2C1CC1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C21H18BrF/c1-12-9-18-14(5-3-7-20(18)22)16(12)11-17-13(2)10-19-15(17)6-4-8-21(19)23/h3-10,16-17H,11H2,1-2H3
InChIKeyVBMWTBRRSCXEKO-UHFFFAOYSA-N
MW369.28 g/mol
LogP6.68
Rot. Bonds2

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

1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene (PubChem CID 67039264) has the molecular formula C21H18BrF and a molecular weight of 369.28 g/mol. Its IUPAC name is 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene.

Molecular Properties

Compound Name1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene
PubChem CID67039264
Molecular FormulaC21H18BrF
Molecular Weight369.28 g/mol
Exact Mass368.06
IUPAC Name1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene
SMILESCC1=Cc2c(F)cccc2C1CC1C(C)=Cc2c(Br)cccc21
InChIInChI=1S/C21H18BrF/c1-12-9-18-14(5-3-7-20(18)22)16(12)11-17-13(2)10-19-15(17)6-4-8-21(19)23/h3-10,16-17H,11H2,1-2H3
InChIKeyVBMWTBRRSCXEKO-UHFFFAOYSA-N
XLogP6.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.28
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene?
The IUPAC name of 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene (CID 67039264) is 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene.
What is the SMILES notation for 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene?
The canonical SMILES for 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene is CC1=Cc2c(F)cccc2C1CC1C(C)=Cc2c(Br)cccc21.
What is the InChIKey of 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene?
The InChIKey is VBMWTBRRSCXEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrF/c1-12-9-18-14(5-3-7-20(18)22)16(12)11-17-13(2)10-19-15(17)6-4-8-21(19)23/h3-10,16-17H,11H2,1-2H3.
What are the key properties of 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene?
1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene has a molecular weight of 369.28 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-methyl-1H-inden-1-yl)methyl]-4-fluoro-2-methyl-1H-indene is sourced from PubChem (CID 67039264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).