3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one

C12H12F3NO — CID 19066385

IUPAC3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
SMILESCC1(C)CNc2cc(C(F)(F)F)ccc2C1=O
InChIInChI=1S/C12H12F3NO/c1-11(2)6-16-9-5-7(12(13,14)15)3-4-8(9)10(11)17/h3-5,16H,6H2,1-2H3
InChIKeyPMUJSNOUVZHFCM-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.34
Rot. Bonds

About 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one

3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one (PubChem CID 19066385) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one.

Molecular Properties

Compound Name3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
PubChem CID19066385
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
SMILESCC1(C)CNc2cc(C(F)(F)F)ccc2C1=O
InChIInChI=1S/C12H12F3NO/c1-11(2)6-16-9-5-7(12(13,14)15)3-4-8(9)10(11)17/h3-5,16H,6H2,1-2H3
InChIKeyPMUJSNOUVZHFCM-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one 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 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one?
The IUPAC name of 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one (CID 19066385) is 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one.
What is the SMILES notation for 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one?
The canonical SMILES for 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one is CC1(C)CNc2cc(C(F)(F)F)ccc2C1=O.
What is the InChIKey of 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one?
The InChIKey is PMUJSNOUVZHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-11(2)6-16-9-5-7(12(13,14)15)3-4-8(9)10(11)17/h3-5,16H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one?
3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one has a molecular weight of 243.23 g/mol, XLogP of 3.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one is sourced from PubChem (CID 19066385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).