2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone

C16H18FNO2 — CID 103162576

IUPAC2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
SMILESCCOC1CC(CC(=O)c2c[nH]c3cccc(F)c23)C1
InChIInChI=1S/C16H18FNO2/c1-2-20-11-6-10(7-11)8-15(19)12-9-18-14-5-3-4-13(17)16(12)14/h3-5,9-11,18H,2,6-8H2,1H3
InChIKeyRFJDGHPAAGJXBC-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.69
Rot. Bonds5

About 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone

2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone (PubChem CID 103162576) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
PubChem CID103162576
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
SMILESCCOC1CC(CC(=O)c2c[nH]c3cccc(F)c23)C1
InChIInChI=1S/C16H18FNO2/c1-2-20-11-6-10(7-11)8-15(19)12-9-18-14-5-3-4-13(17)16(12)14/h3-5,9-11,18H,2,6-8H2,1H3
InChIKeyRFJDGHPAAGJXBC-UHFFFAOYSA-N
XLogP3.69
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
1-(4-fluoro-1H-indol-3-yl)butan-1-one
CID 82793339
1-(7-chloro-1H-indol-3-yl)-2-(3-ethoxycyclobutyl)ethanone
CID 103474467
2-(3-ethoxycyclobutyl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 103167821
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
2-cyclohexyl-1-(4-methyl-1H-indol-3-yl)ethanone
CID 43163350
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
1-(4-chloro-1H-indol-3-yl)-2-cyclobutylethanone
CID 103162533
2-(3-ethoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103168074
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190
7-bicyclo[4.1.0]heptanyl-(4-fluoro-1H-indol-3-yl)methanone
CID 82792286
2-(3-ethoxycyclobutyl)-1-(1-methylindol-3-yl)ethanone
CID 103162400

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone (CID 103162576) is 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone is CCOC1CC(CC(=O)c2c[nH]c3cccc(F)c23)C1.
What is the InChIKey of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone?
The InChIKey is RFJDGHPAAGJXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-20-11-6-10(7-11)8-15(19)12-9-18-14-5-3-4-13(17)16(12)14/h3-5,9-11,18H,2,6-8H2,1H3.
What are the key properties of 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone?
2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone has a molecular weight of 275.32 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone is sourced from PubChem (CID 103162576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).