2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one

C15H10F3NO2 — CID 139804636

IUPAC2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one
SMILESO=c1c2ccc(F)cc2n(CCO)c2c(F)cc(F)cc12
InChIInChI=1S/C15H10F3NO2/c16-8-1-2-10-13(7-8)19(3-4-20)14-11(15(10)21)5-9(17)6-12(14)18/h1-2,5-7,20H,3-4H2
InChIKeyLSMAVUJLRKZHAT-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.56
Rot. Bonds2

About 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one

2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one (PubChem CID 139804636) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one.

Molecular Properties

Compound Name2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one
PubChem CID139804636
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one
SMILESO=c1c2ccc(F)cc2n(CCO)c2c(F)cc(F)cc12
InChIInChI=1S/C15H10F3NO2/c16-8-1-2-10-13(7-8)19(3-4-20)14-11(15(10)21)5-9(17)6-12(14)18/h1-2,5-7,20H,3-4H2
InChIKeyLSMAVUJLRKZHAT-UHFFFAOYSA-N
XLogP2.56
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one?
The IUPAC name of 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one (CID 139804636) is 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one.
What is the SMILES notation for 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one?
The canonical SMILES for 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one is O=c1c2ccc(F)cc2n(CCO)c2c(F)cc(F)cc12.
What is the InChIKey of 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one?
The InChIKey is LSMAVUJLRKZHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-8-1-2-10-13(7-8)19(3-4-20)14-11(15(10)21)5-9(17)6-12(14)18/h1-2,5-7,20H,3-4H2.
What are the key properties of 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one?
2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one has a molecular weight of 293.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-10-(2-hydroxyethyl)acridin-9-one is sourced from PubChem (CID 139804636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).