7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one

C20H16F3NO — CID 53362611

IUPAC7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)CCCC2
InChIInChI=1S/C20H16F3NO/c21-20(22,23)14-8-5-12(6-9-14)13-7-10-18-16(11-13)19(25)15-3-1-2-4-17(15)24-18/h5-11H,1-4H2,(H,24,25)
InChIKeyIBIQNUWEMGJYTE-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.09
Rot. Bonds1

About 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one

7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one (PubChem CID 53362611) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one.

Molecular Properties

Compound Name7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
PubChem CID53362611
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
SMILESO=c1c2c([nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)CCCC2
InChIInChI=1S/C20H16F3NO/c21-20(22,23)14-8-5-12(6-9-14)13-7-10-18-16(11-13)19(25)15-3-1-2-4-17(15)24-18/h5-11H,1-4H2,(H,24,25)
InChIKeyIBIQNUWEMGJYTE-UHFFFAOYSA-N
XLogP5.09
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-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 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one?
The IUPAC name of 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one (CID 53362611) is 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one.
What is the SMILES notation for 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one?
The canonical SMILES for 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one is O=c1c2c([nH]c3ccc(-c4ccc(C(F)(F)F)cc4)cc13)CCCC2.
What is the InChIKey of 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one?
The InChIKey is IBIQNUWEMGJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c21-20(22,23)14-8-5-12(6-9-14)13-7-10-18-16(11-13)19(25)15-3-1-2-4-17(15)24-18/h5-11H,1-4H2,(H,24,25).
What are the key properties of 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one?
7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one has a molecular weight of 343.35 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one is sourced from PubChem (CID 53362611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).