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

C14H20F3NO — CID 145341638

IUPAC2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
SMILESCC.Cc1[nH]c2c(c(=O)c1C)CC(C(F)(F)F)CC2
InChIInChI=1S/C12H14F3NO.C2H6/c1-6-7(2)16-10-4-3-8(12(13,14)15)5-9(10)11(6)17;1-2/h8H,3-5H2,1-2H3,(H,16,17);1-2H3
InChIKeyICYHDVOJAAOIOP-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.69
Rot. Bonds

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

2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane (PubChem CID 145341638) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane.

Molecular Properties

Compound Name2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
PubChem CID145341638
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane
SMILESCC.Cc1[nH]c2c(c(=O)c1C)CC(C(F)(F)F)CC2
InChIInChI=1S/C12H14F3NO.C2H6/c1-6-7(2)16-10-4-3-8(12(13,14)15)5-9(10)11(6)17;1-2/h8H,3-5H2,1-2H3,(H,16,17);1-2H3
InChIKeyICYHDVOJAAOIOP-UHFFFAOYSA-N
XLogP3.69
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

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Related Compounds

3-acetyl-2,4,7,7-tetramethyl-4,6,7,8-tetrahydro-5(1H)-quinolinone
CID 3111851
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-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299424
2,3-dimethyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 129299425
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

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane?
The IUPAC name of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane (CID 145341638) is 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane.
What is the SMILES notation for 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane?
The canonical SMILES for 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane is CC.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;ethane?
The InChIKey is ICYHDVOJAAOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO.C2H6/c1-6-7(2)16-10-4-3-8(12(13,14)15)5-9(10)11(6)17;1-2/h8H,3-5H2,1-2H3,(H,16,17);1-2H3.
What are the key properties of 2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane?
2,3-dimethyl-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one;ethane has a molecular weight of 275.31 g/mol, XLogP of 3.69, 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;ethane is sourced from PubChem (CID 145341638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).