6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole

C11H13BrFN — CID 21338504

IUPAC6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(F)c(Br)cc21
InChIInChI=1S/C11H13BrFN/c1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14/h5-7H,3-4H2,1-2H3
InChIKeyNDGJBAJYMBCIKD-UHFFFAOYSA-N
MW258.13 g/mol
LogP3.36
Rot. Bonds1

About 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole

6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole (PubChem CID 21338504) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole
PubChem CID21338504
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Name6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole
SMILESCC(C)N1CCc2cc(F)c(Br)cc21
InChIInChI=1S/C11H13BrFN/c1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14/h5-7H,3-4H2,1-2H3
InChIKeyNDGJBAJYMBCIKD-UHFFFAOYSA-N
XLogP3.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole 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 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole?
The IUPAC name of 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole (CID 21338504) is 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole.
What is the SMILES notation for 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole?
The canonical SMILES for 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole is CC(C)N1CCc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole?
The InChIKey is NDGJBAJYMBCIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-7(2)14-4-3-8-5-10(13)9(12)6-11(8)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole?
6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole has a molecular weight of 258.13 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-propan-2-yl-2,3-dihydroindole is sourced from PubChem (CID 21338504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).