2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one

C19H18F3NO — CID 67522469

IUPAC2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1ccc(C(C)C)cc1n2CC(F)(F)F
InChIInChI=1S/C19H18F3NO/c1-11(2)13-5-6-14-17(9-13)23(10-19(20,21)22)16-7-4-12(3)8-15(16)18(14)24/h4-9,11H,10H2,1-3H3
InChIKeyFNRQTEYHIWIFIX-UHFFFAOYSA-N
MW333.35 g/mol
LogP5.15
Rot. Bonds2

About 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one

2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one (PubChem CID 67522469) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one.

Molecular Properties

Compound Name2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one
PubChem CID67522469
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one
SMILESCc1ccc2c(c1)c(=O)c1ccc(C(C)C)cc1n2CC(F)(F)F
InChIInChI=1S/C19H18F3NO/c1-11(2)13-5-6-14-17(9-13)23(10-19(20,21)22)16-7-4-12(3)8-15(16)18(14)24/h4-9,11H,10H2,1-3H3
InChIKeyFNRQTEYHIWIFIX-UHFFFAOYSA-N
XLogP5.15
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
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 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one?
The IUPAC name of 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one (CID 67522469) is 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one.
What is the SMILES notation for 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one?
The canonical SMILES for 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one is Cc1ccc2c(c1)c(=O)c1ccc(C(C)C)cc1n2CC(F)(F)F.
What is the InChIKey of 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one?
The InChIKey is FNRQTEYHIWIFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-11(2)13-5-6-14-17(9-13)23(10-19(20,21)22)16-7-4-12(3)8-15(16)18(14)24/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one?
2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one has a molecular weight of 333.35 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-propan-2-yl-10-(2,2,2-trifluoroethyl)acridin-9-one is sourced from PubChem (CID 67522469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).