5-bromo-3,3-diethyl-7-fluoro-2-methylindole

C13H15BrFN — CID 129202765

IUPAC5-bromo-3,3-diethyl-7-fluoro-2-methylindole
SMILESCCC1(CC)C(C)=Nc2c(F)cc(Br)cc21
InChIInChI=1S/C13H15BrFN/c1-4-13(5-2)8(3)16-12-10(13)6-9(14)7-11(12)15/h6-7H,4-5H2,1-3H3
InChIKeyUFQJGSILIJOIEG-UHFFFAOYSA-N
MW284.17 g/mol
LogP4.75
Rot. Bonds2

About 5-bromo-3,3-diethyl-7-fluoro-2-methylindole

5-bromo-3,3-diethyl-7-fluoro-2-methylindole (PubChem CID 129202765) has the molecular formula C13H15BrFN and a molecular weight of 284.17 g/mol. Its IUPAC name is 5-bromo-3,3-diethyl-7-fluoro-2-methylindole.

Molecular Properties

Compound Name5-bromo-3,3-diethyl-7-fluoro-2-methylindole
PubChem CID129202765
Molecular FormulaC13H15BrFN
Molecular Weight284.17 g/mol
Exact Mass283.04
IUPAC Name5-bromo-3,3-diethyl-7-fluoro-2-methylindole
SMILESCCC1(CC)C(C)=Nc2c(F)cc(Br)cc21
InChIInChI=1S/C13H15BrFN/c1-4-13(5-2)8(3)16-12-10(13)6-9(14)7-11(12)15/h6-7H,4-5H2,1-3H3
InChIKeyUFQJGSILIJOIEG-UHFFFAOYSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,3-diethyl-7-fluoro-2-methylindole?
The IUPAC name of 5-bromo-3,3-diethyl-7-fluoro-2-methylindole (CID 129202765) is 5-bromo-3,3-diethyl-7-fluoro-2-methylindole.
What is the SMILES notation for 5-bromo-3,3-diethyl-7-fluoro-2-methylindole?
The canonical SMILES for 5-bromo-3,3-diethyl-7-fluoro-2-methylindole is CCC1(CC)C(C)=Nc2c(F)cc(Br)cc21.
What is the InChIKey of 5-bromo-3,3-diethyl-7-fluoro-2-methylindole?
The InChIKey is UFQJGSILIJOIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN/c1-4-13(5-2)8(3)16-12-10(13)6-9(14)7-11(12)15/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-3,3-diethyl-7-fluoro-2-methylindole?
5-bromo-3,3-diethyl-7-fluoro-2-methylindole has a molecular weight of 284.17 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,3-diethyl-7-fluoro-2-methylindole is sourced from PubChem (CID 129202765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).