4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene

C11H8BrF3 — CID 140504781

IUPAC4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
SMILESCC1=Cc2c(Br)cc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H8BrF3/c1-6-2-7-4-8(11(13,14)15)5-10(12)9(7)3-6/h3-5H,2H2,1H3
InChIKeyDKXGUSGUQRPFTO-UHFFFAOYSA-N
MW277.08 g/mol
LogP4.43
Rot. Bonds

About 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene

4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene (PubChem CID 140504781) has the molecular formula C11H8BrF3 and a molecular weight of 277.08 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene.

Molecular Properties

Compound Name4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
PubChem CID140504781
Molecular FormulaC11H8BrF3
Molecular Weight277.08 g/mol
Exact Mass275.98
IUPAC Name4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene
SMILESCC1=Cc2c(Br)cc(C(F)(F)F)cc2C1
InChIInChI=1S/C11H8BrF3/c1-6-2-7-4-8(11(13,14)15)5-10(12)9(7)3-6/h3-5H,2H2,1H3
InChIKeyDKXGUSGUQRPFTO-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.08
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dibromo-2-methyl-5-(trifluoromethyl)benzene;ethane
CID 144858961
4-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene;carbanide;zirconium(2+)
CID 175436498
2-(7-bromo-2-methyl-3H-inden-5-yl)-5-methylthiophene
CID 140504811
2-bromo-1-methyl-4-(trifluoromethyl)benzene
CID 2779376
8-bromo-6-(trifluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 84715045
5-[1-[3,5-bis(trifluoromethyl)phenyl]-1-(3-bromo-4,5-dimethylphenyl)-2,2,2-trifluoroethyl]-1-bromo-2,3-dimethylbenzene
CID 177252500
3-bromo-5-(trifluoromethyl)benzene-1,2-diol
CID 59643037
3-bromo-2,5-bis(trifluoromethyl)benzenethiol
CID 118990966
1-bromo-6-methyl-5H-cyclopenta[c]pyridine
CID 159729592
1,3-dimethyl-5-(trifluoromethyl)benzene;ethane
CID 143497301
4-[3,5-bis(trifluoromethyl)phenyl]-2-tert-butyl-1H-indene
CID 141047271
2-bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene?
The IUPAC name of 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene (CID 140504781) is 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene.
What is the SMILES notation for 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene?
The canonical SMILES for 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene is CC1=Cc2c(Br)cc(C(F)(F)F)cc2C1.
What is the InChIKey of 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene?
The InChIKey is DKXGUSGUQRPFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF3/c1-6-2-7-4-8(11(13,14)15)5-10(12)9(7)3-6/h3-5H,2H2,1H3.
What are the key properties of 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene?
4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene has a molecular weight of 277.08 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-(trifluoromethyl)-1H-indene is sourced from PubChem (CID 140504781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).