4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one

C15H7F6NO2 — CID 88946758

IUPAC4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one
SMILESO=c1c2cc(C(F)(F)F)ccc2[nH]c2c(O)cc(C(F)(F)F)cc12
InChIInChI=1S/C15H7F6NO2/c16-14(17,18)6-1-2-10-8(3-6)13(24)9-4-7(15(19,20)21)5-11(23)12(9)22-10/h1-5,23H,(H,22,24)
InChIKeyXFIYLVMJGBYDIO-UHFFFAOYSA-N
MW347.21 g/mol
LogP4.42
Rot. Bonds

About 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one

4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one (PubChem CID 88946758) has the molecular formula C15H7F6NO2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one.

Molecular Properties

Compound Name4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one
PubChem CID88946758
Molecular FormulaC15H7F6NO2
Molecular Weight347.21 g/mol
Exact Mass347.04
IUPAC Name4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one
SMILESO=c1c2cc(C(F)(F)F)ccc2[nH]c2c(O)cc(C(F)(F)F)cc12
InChIInChI=1S/C15H7F6NO2/c16-14(17,18)6-1-2-10-8(3-6)13(24)9-4-7(15(19,20)21)5-11(23)12(9)22-10/h1-5,23H,(H,22,24)
InChIKeyXFIYLVMJGBYDIO-UHFFFAOYSA-N
XLogP4.42
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one?
The IUPAC name of 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one (CID 88946758) is 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one.
What is the SMILES notation for 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one?
The canonical SMILES for 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one is O=c1c2cc(C(F)(F)F)ccc2[nH]c2c(O)cc(C(F)(F)F)cc12.
What is the InChIKey of 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one?
The InChIKey is XFIYLVMJGBYDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6NO2/c16-14(17,18)6-1-2-10-8(3-6)13(24)9-4-7(15(19,20)21)5-11(23)12(9)22-10/h1-5,23H,(H,22,24).
What are the key properties of 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one?
4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one has a molecular weight of 347.21 g/mol, XLogP of 4.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2,7-bis(trifluoromethyl)-10H-acridin-9-one is sourced from PubChem (CID 88946758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).