9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

C23H32FNO2 — CID 140532637

IUPAC9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2C1CCCC(F)C1
InChIInChI=1S/C23H32FNO2/c1-22(2)9-15-20(17(26)11-22)19(13-6-5-7-14(24)8-13)21-16(25-15)10-23(3,4)12-18(21)27/h13-14,19,25H,5-12H2,1-4H3
InChIKeyYKUWCAYPNKMICR-UHFFFAOYSA-N
MW373.51 g/mol
LogP5.02
Rot. Bonds1

About 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 140532637) has the molecular formula C23H32FNO2 and a molecular weight of 373.51 g/mol. Its IUPAC name is 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID140532637
Molecular FormulaC23H32FNO2
Molecular Weight373.51 g/mol
Exact Mass373.24
IUPAC Name9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2C1CCCC(F)C1
InChIInChI=1S/C23H32FNO2/c1-22(2)9-15-20(17(26)11-22)19(13-6-5-7-14(24)8-13)21-16(25-15)10-23(3,4)12-18(21)27/h13-14,19,25H,5-12H2,1-4H3
InChIKeyYKUWCAYPNKMICR-UHFFFAOYSA-N
XLogP5.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.51
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 140532637) is 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2C1CCCC(F)C1.
What is the InChIKey of 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is YKUWCAYPNKMICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32FNO2/c1-22(2)9-15-20(17(26)11-22)19(13-6-5-7-14(24)8-13)21-16(25-15)10-23(3,4)12-18(21)27/h13-14,19,25H,5-12H2,1-4H3.
What are the key properties of 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 373.51 g/mol, XLogP of 5.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-fluorocyclohexyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 140532637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).