5-bromo-7-fluoro-2,3,3-trimethylindole

C11H11BrFN — CID 129202758

IUPAC5-bromo-7-fluoro-2,3,3-trimethylindole
SMILESCC1=Nc2c(F)cc(Br)cc2C1(C)C
InChIInChI=1S/C11H11BrFN/c1-6-11(2,3)8-4-7(12)5-9(13)10(8)14-6/h4-5H,1-3H3
InChIKeyZIQSRTVWGGOKJO-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.97
Rot. Bonds

About 5-bromo-7-fluoro-2,3,3-trimethylindole

5-bromo-7-fluoro-2,3,3-trimethylindole (PubChem CID 129202758) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 5-bromo-7-fluoro-2,3,3-trimethylindole.

Molecular Properties

Compound Name5-bromo-7-fluoro-2,3,3-trimethylindole
PubChem CID129202758
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name5-bromo-7-fluoro-2,3,3-trimethylindole
SMILESCC1=Nc2c(F)cc(Br)cc2C1(C)C
InChIInChI=1S/C11H11BrFN/c1-6-11(2,3)8-4-7(12)5-9(13)10(8)14-6/h4-5H,1-3H3
InChIKeyZIQSRTVWGGOKJO-UHFFFAOYSA-N
XLogP3.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-fluoro-2,3,3-trimethylindole?
The IUPAC name of 5-bromo-7-fluoro-2,3,3-trimethylindole (CID 129202758) is 5-bromo-7-fluoro-2,3,3-trimethylindole.
What is the SMILES notation for 5-bromo-7-fluoro-2,3,3-trimethylindole?
The canonical SMILES for 5-bromo-7-fluoro-2,3,3-trimethylindole is CC1=Nc2c(F)cc(Br)cc2C1(C)C.
What is the InChIKey of 5-bromo-7-fluoro-2,3,3-trimethylindole?
The InChIKey is ZIQSRTVWGGOKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-6-11(2,3)8-4-7(12)5-9(13)10(8)14-6/h4-5H,1-3H3.
What are the key properties of 5-bromo-7-fluoro-2,3,3-trimethylindole?
5-bromo-7-fluoro-2,3,3-trimethylindole has a molecular weight of 256.12 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-fluoro-2,3,3-trimethylindole is sourced from PubChem (CID 129202758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).