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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Related Compounds

4-fluoro-1-methyl-2,3-dihydroindole
CID 59466275
5-bromo-4-fluoro-1-methyl-2,3-dihydroindole
CID 139398741
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
5-bromo-1-methyl-2,3-dihydroindole
CID 19361435
5-chloro-4-fluoro-1-methyl-2,3-dihydroindole
CID 59466334
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112833947
6-bromo-8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazine
CID 139390080
7-bromo-8-fluoro-5-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 83825733
4-methoxy-1,6-dimethyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole
CID 144891847
(10aR)-7-bromo-9-fluoro-4-methyl-1,2,3,4,10,10a-hexahydropyrazino[1,2-a]indole;hydrochloride
CID 70004804
(1S)-7-bromo-5-fluoro-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 94418031

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).