2-(ethoxymethyl)-1-ethyl-4-fluoroindole

C13H16FNO — CID 117173996

IUPAC2-(ethoxymethyl)-1-ethyl-4-fluoroindole
SMILESCCOCc1cc2c(F)cccc2n1CC
InChIInChI=1S/C13H16FNO/c1-3-15-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8H,3-4,9H2,1-2H3
InChIKeyBVXUAINEGRGAJO-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.34
Rot. Bonds4

About 2-(ethoxymethyl)-1-ethyl-4-fluoroindole

2-(ethoxymethyl)-1-ethyl-4-fluoroindole (PubChem CID 117173996) has the molecular formula C13H16FNO and a molecular weight of 221.27 g/mol. Its IUPAC name is 2-(ethoxymethyl)-1-ethyl-4-fluoroindole.

Molecular Properties

Compound Name2-(ethoxymethyl)-1-ethyl-4-fluoroindole
PubChem CID117173996
Molecular FormulaC13H16FNO
Molecular Weight221.27 g/mol
Exact Mass221.12
IUPAC Name2-(ethoxymethyl)-1-ethyl-4-fluoroindole
SMILESCCOCc1cc2c(F)cccc2n1CC
InChIInChI=1S/C13H16FNO/c1-3-15-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8H,3-4,9H2,1-2H3
InChIKeyBVXUAINEGRGAJO-UHFFFAOYSA-N
XLogP3.34
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(ethoxymethyl)-1-ethyl-4-fluoroindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(ethoxymethyl)-1-ethylindol-4-ol
CID 117173988
1-ethyl-4-fluoro-2-(propan-2-yloxymethyl)indole
CID 117173999
2-(ethoxymethyl)-1-ethylindol-4-amine
CID 117173980
1-ethyl-4-fluoro-2-(phenoxymethyl)indole
CID 117173811
2-(ethoxymethyl)-1-ethylindole
CID 117173973
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
1-ethyl-2-[(4-fluorophenoxy)methyl]indole-4-carboxylic acid
CID 117174116
1-ethyl-2-[(4-methoxyphenoxy)methyl]indol-4-ol
CID 117173947
1-ethyl-2-[(2-methoxyphenoxy)methyl]indol-4-ol
CID 117173851
1-ethyl-7-fluoro-2-(propan-2-yloxymethyl)indole
CID 117184270
(1-ethyl-4-methoxyindol-2-yl)methanol
CID 117120546
2-(ethylsulfanylmethyl)-4-fluoro-1-methylindole
CID 117173469

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-1-ethyl-4-fluoroindole?
The IUPAC name of 2-(ethoxymethyl)-1-ethyl-4-fluoroindole (CID 117173996) is 2-(ethoxymethyl)-1-ethyl-4-fluoroindole.
What is the SMILES notation for 2-(ethoxymethyl)-1-ethyl-4-fluoroindole?
The canonical SMILES for 2-(ethoxymethyl)-1-ethyl-4-fluoroindole is CCOCc1cc2c(F)cccc2n1CC.
What is the InChIKey of 2-(ethoxymethyl)-1-ethyl-4-fluoroindole?
The InChIKey is BVXUAINEGRGAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-15-10(9-16-4-2)8-11-12(14)6-5-7-13(11)15/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-1-ethyl-4-fluoroindole?
2-(ethoxymethyl)-1-ethyl-4-fluoroindole has a molecular weight of 221.27 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-1-ethyl-4-fluoroindole is sourced from PubChem (CID 117173996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).