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

C11H12F3NO — CID 129285891

IUPAC2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1cc(=O)c2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C11H12F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyWMPKKUUMPVGATG-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.35
Rot. Bonds

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

2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (PubChem CID 129285891) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
PubChem CID129285891
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
SMILESCc1cc(=O)c2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C11H12F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h4,7H,2-3,5H2,1H3,(H,15,16)
InChIKeyWMPKKUUMPVGATG-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one (CID 129285891) is 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is Cc1cc(=O)c2c([nH]1)CC(C(F)(F)F)CC2.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
The InChIKey is WMPKKUUMPVGATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-6-4-10(16)8-3-2-7(11(12,13)14)5-9(8)15-6/h4,7H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one?
2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one has a molecular weight of 231.22 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one is sourced from PubChem (CID 129285891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).