1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone

C16H14FNO2 — CID 828891

IUPAC1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCc2ccccc21
InChIInChI=1S/C16H14FNO2/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2
InChIKeyPGSDZQFBMHNPFI-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.79
Rot. Bonds3

About 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone

1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 828891) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID828891
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone
SMILESO=C(COc1ccc(F)cc1)N1CCc2ccccc21
InChIInChI=1S/C16H14FNO2/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2
InChIKeyPGSDZQFBMHNPFI-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(4-iodophenoxy)ethanone
CID 1242466
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
2-[4-(4-chlorobenzoyl)phenoxy]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7919205
1-(2,3-dihydroindol-1-yl)-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethanone
CID 17446546
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
2-(4-bromophenoxy)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 730148
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-phenylphenoxy)ethanone
CID 2788983
2-(2-chlorophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 823401
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
2,3-dihydroindol-1-yl-[4-[3-(4-fluorophenoxy)propyl]piperazin-1-yl]methanone
CID 22390830
2,3-dihydroindol-1-yl-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]methanone
CID 22390855
2-(4-fluorophenoxy)-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 112762093

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone (CID 828891) is 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone is O=C(COc1ccc(F)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is PGSDZQFBMHNPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c17-13-5-7-14(8-6-13)20-11-16(19)18-10-9-12-3-1-2-4-15(12)18/h1-8H,9-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone?
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 271.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 828891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).