1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone

C17H16FNO2 — CID 756939

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C17H16FNO2/c18-15-7-3-4-8-16(15)21-12-17(20)19-10-9-13-5-1-2-6-14(13)11-19/h1-8H,9-12H2
InChIKeyYTBNKXZGPDGFHI-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.79
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone (PubChem CID 756939) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone
PubChem CID756939
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone
SMILESO=C(COc1ccccc1F)N1CCc2ccccc2C1
InChIInChI=1S/C17H16FNO2/c18-15-7-3-4-8-16(15)21-12-17(20)19-10-9-13-5-1-2-6-14(13)11-19/h1-8H,9-12H2
InChIKeyYTBNKXZGPDGFHI-UHFFFAOYSA-N
XLogP2.79
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
CID 710356
1-[(2r)-2-(3,4-Dihydroisoquinolin-2(1h)-Ylcarbonyl)piperidin-1-Yl]-2-Phenoxyethanone
CID 71304792
1-[4-(2-Fluoro-benzoyl)-piperazin-1-yl]-2-phenoxy-ethanone
CID 695010
2-[(4-Bromophenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline
CID 744764
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 798572
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-o-tolyloxy-ethanone
CID 801549
N-benzyl-N-methyl-2-(2-naphthyloxy)acetamide
CID 833263
2-(2-Chloro-phenoxy)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-ethanone
CID 883824
2-(4-fluorophenoxy)-N-(4-methoxybenzyl)acetamide
CID 887507
1-(4-Benzylpiperidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 887582
4-[2-(3,4-dihydro-2(1H)-isoquinolinyl)ethoxy]benzonitrile
CID 901228

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone (CID 756939) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone is O=C(COc1ccccc1F)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone?
The InChIKey is YTBNKXZGPDGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-7-3-4-8-16(15)21-12-17(20)19-10-9-13-5-1-2-6-14(13)11-19/h1-8H,9-12H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone has a molecular weight of 285.32 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-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 756939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).