9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

C23H25F2NO2 — CID 54496319

IUPAC9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C23H25F2NO2/c1-22(2)8-15-20(17(27)10-22)19(12-5-6-13(24)14(25)7-12)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19-20H,8-11H2,1-4H3
InChIKeyXZJFFPIPZYXFCS-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.15
Rot. Bonds1

About 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (PubChem CID 54496319) has the molecular formula C23H25F2NO2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
PubChem CID54496319
Molecular FormulaC23H25F2NO2
Molecular Weight385.45 g/mol
Exact Mass385.19
IUPAC Name9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(F)c(F)c2)C1
InChIInChI=1S/C23H25F2NO2/c1-22(2)8-15-20(17(27)10-22)19(12-5-6-13(24)14(25)7-12)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19-20H,8-11H2,1-4H3
InChIKeyXZJFFPIPZYXFCS-UHFFFAOYSA-N
XLogP5.15
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione 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 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The IUPAC name of 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (CID 54496319) is 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.
What is the SMILES notation for 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The canonical SMILES for 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is CC1(C)CC(=O)C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(F)c(F)c2)C1.
What is the InChIKey of 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The InChIKey is XZJFFPIPZYXFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2NO2/c1-22(2)8-15-20(17(27)10-22)19(12-5-6-13(24)14(25)7-12)21-16(26-15)9-23(3,4)11-18(21)28/h5-7,19-20H,8-11H2,1-4H3.
What are the key properties of 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione has a molecular weight of 385.45 g/mol, XLogP of 5.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is sourced from PubChem (CID 54496319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).