6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

C16H15F2NO2 — CID 64775346

IUPAC6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCc2c(nc3cc(F)cc(F)c3c2C(=O)O)C1C
InChIInChI=1S/C16H15F2NO2/c1-7-3-4-10-13(16(20)21)14-11(18)5-9(17)6-12(14)19-15(10)8(7)2/h5-8H,3-4H2,1-2H3,(H,20,21)
InChIKeyGPWSFPVIODYXMN-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.90
Rot. Bonds1

About 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid

6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 64775346) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID64775346
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCC1CCc2c(nc3cc(F)cc(F)c3c2C(=O)O)C1C
InChIInChI=1S/C16H15F2NO2/c1-7-3-4-10-13(16(20)21)14-11(18)5-9(17)6-12(14)19-15(10)8(7)2/h5-8H,3-4H2,1-2H3,(H,20,21)
InChIKeyGPWSFPVIODYXMN-UHFFFAOYSA-N
XLogP3.90
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 64775346) is 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CC1CCc2c(nc3cc(F)cc(F)c3c2C(=O)O)C1C.
What is the InChIKey of 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is GPWSFPVIODYXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-7-3-4-10-13(16(20)21)14-11(18)5-9(17)6-12(14)19-15(10)8(7)2/h5-8H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-3,4-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 64775346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).