9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one

C19H20FNO — CID 19958901

IUPAC9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
SMILESO=C1CCCC2=C1C(c1cccc(F)c1)C1=C(CCCC1)N2
InChIInChI=1S/C19H20FNO/c20-13-6-3-5-12(11-13)18-14-7-1-2-8-15(14)21-16-9-4-10-17(22)19(16)18/h3,5-6,11,18,21H,1-2,4,7-10H2
InChIKeySSRXEYBTBDLKQL-UHFFFAOYSA-N
MW297.37 g/mol
LogP4.35
Rot. Bonds1

About 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one

9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one (PubChem CID 19958901) has the molecular formula C19H20FNO and a molecular weight of 297.37 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one.

Molecular Properties

Compound Name9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
PubChem CID19958901
Molecular FormulaC19H20FNO
Molecular Weight297.37 g/mol
Exact Mass297.15
IUPAC Name9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one
SMILESO=C1CCCC2=C1C(c1cccc(F)c1)C1=C(CCCC1)N2
InChIInChI=1S/C19H20FNO/c20-13-6-3-5-12(11-13)18-14-7-1-2-8-15(14)21-16-9-4-10-17(22)19(16)18/h3,5-6,11,18,21H,1-2,4,7-10H2
InChIKeySSRXEYBTBDLKQL-UHFFFAOYSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
The IUPAC name of 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one (CID 19958901) is 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one.
What is the SMILES notation for 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
The canonical SMILES for 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one is O=C1CCCC2=C1C(c1cccc(F)c1)C1=C(CCCC1)N2.
What is the InChIKey of 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
The InChIKey is SSRXEYBTBDLKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO/c20-13-6-3-5-12(11-13)18-14-7-1-2-8-15(14)21-16-9-4-10-17(22)19(16)18/h3,5-6,11,18,21H,1-2,4,7-10H2.
What are the key properties of 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one?
9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one has a molecular weight of 297.37 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorophenyl)-3,4,5,6,7,8,9,10-octahydro-2H-acridin-1-one is sourced from PubChem (CID 19958901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).