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

C16H15F2NO2 — CID 63463636

IUPAC2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCCC1CCc2nc3cc(F)cc(F)c3c(C(=O)O)c2C1
InChIInChI=1S/C16H15F2NO2/c1-2-8-3-4-12-10(5-8)14(16(20)21)15-11(18)6-9(17)7-13(15)19-12/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyLNCDONBVDBLWNA-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.73
Rot. Bonds2

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

2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid (PubChem CID 63463636) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
PubChem CID63463636
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid
SMILESCCC1CCc2nc3cc(F)cc(F)c3c(C(=O)O)c2C1
InChIInChI=1S/C16H15F2NO2/c1-2-8-3-4-12-10(5-8)14(16(20)21)15-11(18)6-9(17)7-13(15)19-12/h6-8H,2-5H2,1H3,(H,20,21)
InChIKeyLNCDONBVDBLWNA-UHFFFAOYSA-N
XLogP3.73
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The IUPAC name of 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid (CID 63463636) is 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid.
What is the SMILES notation for 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The canonical SMILES for 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid is CCC1CCc2nc3cc(F)cc(F)c3c(C(=O)O)c2C1.
What is the InChIKey of 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
The InChIKey is LNCDONBVDBLWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-2-8-3-4-12-10(5-8)14(16(20)21)15-11(18)6-9(17)7-13(15)19-12/h6-8H,2-5H2,1H3,(H,20,21).
What are the key properties of 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid?
2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6,8-difluoro-1,2,3,4-tetrahydroacridine-9-carboxylic acid is sourced from PubChem (CID 63463636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).