6-bromo-4-fluoro-1-methyl-2,3-dihydroindole

C9H9BrFN — CID 71089596

IUPAC6-bromo-4-fluoro-1-methyl-2,3-dihydroindole
SMILESCN1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C9H9BrFN/c1-12-3-2-7-8(11)4-6(10)5-9(7)12/h4-5H,2-3H2,1H3
InChIKeyZBVYFLZFAFEUCR-UHFFFAOYSA-N
MW230.08 g/mol
LogP2.58
Rot. Bonds

About 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole

6-bromo-4-fluoro-1-methyl-2,3-dihydroindole (PubChem CID 71089596) has the molecular formula C9H9BrFN and a molecular weight of 230.08 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-bromo-4-fluoro-1-methyl-2,3-dihydroindole
PubChem CID71089596
Molecular FormulaC9H9BrFN
Molecular Weight230.08 g/mol
Exact Mass228.99
IUPAC Name6-bromo-4-fluoro-1-methyl-2,3-dihydroindole
SMILESCN1CCc2c(F)cc(Br)cc21
InChIInChI=1S/C9H9BrFN/c1-12-3-2-7-8(11)4-6(10)5-9(7)12/h4-5H,2-3H2,1H3
InChIKeyZBVYFLZFAFEUCR-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.08
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
The IUPAC name of 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole (CID 71089596) is 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
The canonical SMILES for 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole is CN1CCc2c(F)cc(Br)cc21.
What is the InChIKey of 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
The InChIKey is ZBVYFLZFAFEUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN/c1-12-3-2-7-8(11)4-6(10)5-9(7)12/h4-5H,2-3H2,1H3.
What are the key properties of 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole?
6-bromo-4-fluoro-1-methyl-2,3-dihydroindole has a molecular weight of 230.08 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 71089596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).