3-ethyl-6-fluoro-5-methoxy-1H-indole

C11H12FNO — CID 22356057

IUPAC3-ethyl-6-fluoro-5-methoxy-1H-indole
SMILESCCc1c[nH]c2cc(F)c(OC)cc12
InChIInChI=1S/C11H12FNO/c1-3-7-6-13-10-5-9(12)11(14-2)4-8(7)10/h4-6,13H,3H2,1-2H3
InChIKeyJCJDGDJQOSJITL-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.88
Rot. Bonds2

About 3-ethyl-6-fluoro-5-methoxy-1H-indole

3-ethyl-6-fluoro-5-methoxy-1H-indole (PubChem CID 22356057) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 3-ethyl-6-fluoro-5-methoxy-1H-indole.

Molecular Properties

Compound Name3-ethyl-6-fluoro-5-methoxy-1H-indole
PubChem CID22356057
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name3-ethyl-6-fluoro-5-methoxy-1H-indole
SMILESCCc1c[nH]c2cc(F)c(OC)cc12
InChIInChI=1S/C11H12FNO/c1-3-7-6-13-10-5-9(12)11(14-2)4-8(7)10/h4-6,13H,3H2,1-2H3
InChIKeyJCJDGDJQOSJITL-UHFFFAOYSA-N
XLogP2.88
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-fluoro-5-methoxy-1H-indole?
The IUPAC name of 3-ethyl-6-fluoro-5-methoxy-1H-indole (CID 22356057) is 3-ethyl-6-fluoro-5-methoxy-1H-indole.
What is the SMILES notation for 3-ethyl-6-fluoro-5-methoxy-1H-indole?
The canonical SMILES for 3-ethyl-6-fluoro-5-methoxy-1H-indole is CCc1c[nH]c2cc(F)c(OC)cc12.
What is the InChIKey of 3-ethyl-6-fluoro-5-methoxy-1H-indole?
The InChIKey is JCJDGDJQOSJITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-3-7-6-13-10-5-9(12)11(14-2)4-8(7)10/h4-6,13H,3H2,1-2H3.
What are the key properties of 3-ethyl-6-fluoro-5-methoxy-1H-indole?
3-ethyl-6-fluoro-5-methoxy-1H-indole has a molecular weight of 193.22 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-fluoro-5-methoxy-1H-indole is sourced from PubChem (CID 22356057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).