9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride

C16H9ClF3NO — CID 154246246

IUPAC9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride
SMILESCc1c2ccc(C(F)(F)F)cc2nc2c(C(=O)Cl)cccc12
InChIInChI=1S/C16H9ClF3NO/c1-8-10-6-5-9(16(18,19)20)7-13(10)21-14-11(8)3-2-4-12(14)15(17)22/h2-7H,1H3
InChIKeyHIHXKHZUVPPECH-UHFFFAOYSA-N
MW323.70 g/mol
LogP5.09
Rot. Bonds1

About 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride

9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride (PubChem CID 154246246) has the molecular formula C16H9ClF3NO and a molecular weight of 323.70 g/mol. Its IUPAC name is 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride.

Molecular Properties

Compound Name9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride
PubChem CID154246246
Molecular FormulaC16H9ClF3NO
Molecular Weight323.70 g/mol
Exact Mass323.03
IUPAC Name9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride
SMILESCc1c2ccc(C(F)(F)F)cc2nc2c(C(=O)Cl)cccc12
InChIInChI=1S/C16H9ClF3NO/c1-8-10-6-5-9(16(18,19)20)7-13(10)21-14-11(8)3-2-4-12(14)15(17)22/h2-7H,1H3
InChIKeyHIHXKHZUVPPECH-UHFFFAOYSA-N
XLogP5.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.70
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride?
The IUPAC name of 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride (CID 154246246) is 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride.
What is the SMILES notation for 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride?
The canonical SMILES for 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride is Cc1c2ccc(C(F)(F)F)cc2nc2c(C(=O)Cl)cccc12.
What is the InChIKey of 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride?
The InChIKey is HIHXKHZUVPPECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClF3NO/c1-8-10-6-5-9(16(18,19)20)7-13(10)21-14-11(8)3-2-4-12(14)15(17)22/h2-7H,1H3.
What are the key properties of 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride?
9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride has a molecular weight of 323.70 g/mol, XLogP of 5.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-6-(trifluoromethyl)acridine-4-carbonyl chloride is sourced from PubChem (CID 154246246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).