2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one

C15H11F2NO2 — CID 69364983

IUPAC2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1Oc1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO2/c16-11-5-6-14(13(17)9-11)20-18-8-7-10-3-1-2-4-12(10)15(18)19/h1-6,9H,7-8H2
InChIKeyVDVQWZOJYHKINV-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.96
Rot. Bonds2

About 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one

2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one (PubChem CID 69364983) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one
PubChem CID69364983
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Name2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one
SMILESO=C1c2ccccc2CCN1Oc1ccc(F)cc1F
InChIInChI=1S/C15H11F2NO2/c16-11-5-6-14(13(17)9-11)20-18-8-7-10-3-1-2-4-12(10)15(18)19/h1-6,9H,7-8H2
InChIKeyVDVQWZOJYHKINV-UHFFFAOYSA-N
XLogP2.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one (CID 69364983) is 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one is O=C1c2ccccc2CCN1Oc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one?
The InChIKey is VDVQWZOJYHKINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c16-11-5-6-14(13(17)9-11)20-18-8-7-10-3-1-2-4-12(10)15(18)19/h1-6,9H,7-8H2.
What are the key properties of 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one?
2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one has a molecular weight of 275.25 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 69364983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).