2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

C12H14F3NO — CID 129299424

IUPAC2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1C)CC(C(F)(F)F)CC2
InChIInChI=1S/C12H14F3NO/c1-6-7(2)16-10-4-3-8(12(13,14)15)5-9(10)11(6)17/h8H,3-5H2,1-2H3,(H,16,17)
InChIKeyKNUNLLIKTUIRSP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.66
Rot. Bonds

About 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one

2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 129299424) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID129299424
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1[nH]c2c(c(=O)c1C)CC(C(F)(F)F)CC2
InChIInChI=1S/C12H14F3NO/c1-6-7(2)16-10-4-3-8(12(13,14)15)5-9(10)11(6)17/h8H,3-5H2,1-2H3,(H,16,17)
InChIKeyKNUNLLIKTUIRSP-UHFFFAOYSA-N
XLogP2.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one with MolForge

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Related Compounds

9-Ethyl-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2729057
1,8(2H,5H)-Acridinedione, 3,4,6,7,9,10-hexahydro-9-methyl-
CID 11680238
2-(Trifluoromethyl)-5,6,7,8-tetrahydroquinolin-4-ol
CID 15171318
2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285879
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285891
3-iodo-2-methyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285954
3-iodo-2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129285967
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299425
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
CID 145341638
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
CID 145341659
Methyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridine
CID 129782172
2,3-dimethyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12430505

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 129299424) is 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1[nH]c2c(c(=O)c1C)CC(C(F)(F)F)CC2.
What is the InChIKey of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is KNUNLLIKTUIRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-6-7(2)16-10-4-3-8(12(13,14)15)5-9(10)11(6)17/h8H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 245.24 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 129299424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).