5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole

C13H18FNO — CID 58386381

IUPAC5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole
SMILESCOCCC1(C)CN(C)c2ccc(F)cc21
InChIInChI=1S/C13H18FNO/c1-13(6-7-16-3)9-15(2)12-5-4-10(14)8-11(12)13/h4-5,8H,6-7,9H2,1-3H3
InChIKeyBHEBGGXRGKZRSQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.57
Rot. Bonds3

About 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole

5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole (PubChem CID 58386381) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole.

Molecular Properties

Compound Name5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole
PubChem CID58386381
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole
SMILESCOCCC1(C)CN(C)c2ccc(F)cc21
InChIInChI=1S/C13H18FNO/c1-13(6-7-16-3)9-15(2)12-5-4-10(14)8-11(12)13/h4-5,8H,6-7,9H2,1-3H3
InChIKeyBHEBGGXRGKZRSQ-UHFFFAOYSA-N
XLogP2.57
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole?
The IUPAC name of 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole (CID 58386381) is 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole.
What is the SMILES notation for 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole?
The canonical SMILES for 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole is COCCC1(C)CN(C)c2ccc(F)cc21.
What is the InChIKey of 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole?
The InChIKey is BHEBGGXRGKZRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-13(6-7-16-3)9-15(2)12-5-4-10(14)8-11(12)13/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole?
5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole has a molecular weight of 223.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-methoxyethyl)-1,3-dimethyl-2H-indole is sourced from PubChem (CID 58386381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).