9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one

C20H14F3NO — CID 44561071

IUPAC9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
SMILESO=C1CC(C(F)(F)F)Cc2nc3ccccc3c(-c3ccccc3)c21
InChIInChI=1S/C20H14F3NO/c21-20(22,23)13-10-16-19(17(25)11-13)18(12-6-2-1-3-7-12)14-8-4-5-9-15(14)24-16/h1-9,13H,10-11H2
InChIKeyATUJTESEFXAQPA-UHFFFAOYSA-N
MW341.33 g/mol
LogP5.21
Rot. Bonds1

About 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one

9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one (PubChem CID 44561071) has the molecular formula C20H14F3NO and a molecular weight of 341.33 g/mol. Its IUPAC name is 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
PubChem CID44561071
Molecular FormulaC20H14F3NO
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC Name9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one
SMILESO=C1CC(C(F)(F)F)Cc2nc3ccccc3c(-c3ccccc3)c21
InChIInChI=1S/C20H14F3NO/c21-20(22,23)13-10-16-19(17(25)11-13)18(12-6-2-1-3-7-12)14-8-4-5-9-15(14)24-16/h1-9,13H,10-11H2
InChIKeyATUJTESEFXAQPA-UHFFFAOYSA-N
XLogP5.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one (CID 44561071) is 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one is O=C1CC(C(F)(F)F)Cc2nc3ccccc3c(-c3ccccc3)c21.
What is the InChIKey of 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
The InChIKey is ATUJTESEFXAQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO/c21-20(22,23)13-10-16-19(17(25)11-13)18(12-6-2-1-3-7-12)14-8-4-5-9-15(14)24-16/h1-9,13H,10-11H2.
What are the key properties of 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one?
9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one has a molecular weight of 341.33 g/mol, XLogP of 5.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-(trifluoromethyl)-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 44561071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).