5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C15H13F2NO2 — CID 60984134

IUPAC5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCCc2c1nc1c(F)cc(F)cc1c2C(=O)O
InChIInChI=1S/C15H13F2NO2/c1-7-3-2-4-9-12(15(19)20)10-5-8(16)6-11(17)14(10)18-13(7)9/h5-7H,2-4H2,1H3,(H,19,20)
InChIKeyNZMPANOOUAURAR-UHFFFAOYSA-N
MW277.27 g/mol
LogP3.65
Rot. Bonds1

About 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 60984134) has the molecular formula C15H13F2NO2 and a molecular weight of 277.27 g/mol. Its IUPAC name is 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID60984134
Molecular FormulaC15H13F2NO2
Molecular Weight277.27 g/mol
Exact Mass277.09
IUPAC Name5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCCc2c1nc1c(F)cc(F)cc1c2C(=O)O
InChIInChI=1S/C15H13F2NO2/c1-7-3-2-4-9-12(15(19)20)10-5-8(16)6-11(17)14(10)18-13(7)9/h5-7H,2-4H2,1H3,(H,19,20)
InChIKeyNZMPANOOUAURAR-UHFFFAOYSA-N
XLogP3.65
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid 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 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 60984134) is 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1CCCc2c1nc1c(F)cc(F)cc1c2C(=O)O.
What is the InChIKey of 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is NZMPANOOUAURAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2/c1-7-3-2-4-9-12(15(19)20)10-5-8(16)6-11(17)14(10)18-13(7)9/h5-7H,2-4H2,1H3,(H,19,20).
What are the key properties of 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-4-methyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 60984134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).