6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one

C11H10F3NO — CID 70849046

IUPAC6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
SMILESCC1=CC2C(C(F)(F)F)=CC(=O)NC2C=C1
InChIInChI=1S/C11H10F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5,7,9H,1H3,(H,15,16)
InChIKeyBHEXWONCCLXFJI-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.11
Rot. Bonds

About 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one

6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one (PubChem CID 70849046) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
PubChem CID70849046
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one
SMILESCC1=CC2C(C(F)(F)F)=CC(=O)NC2C=C1
InChIInChI=1S/C11H10F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5,7,9H,1H3,(H,15,16)
InChIKeyBHEXWONCCLXFJI-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one (CID 70849046) is 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one is CC1=CC2C(C(F)(F)F)=CC(=O)NC2C=C1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
The InChIKey is BHEXWONCCLXFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6-2-3-9-7(4-6)8(11(12,13)14)5-10(16)15-9/h2-5,7,9H,1H3,(H,15,16).
What are the key properties of 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one?
6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one has a molecular weight of 229.20 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-4a,8a-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70849046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).