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

C10H10F3NO — CID 23224237

IUPAC2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESO=C1CCCC2=C1CC=C(C(F)(F)F)N2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-5-4-6-7(14-9)2-1-3-8(6)15/h5,14H,1-4H2
InChIKeyKTMVPJCXMGZMFB-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.43
Rot. Bonds

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

2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (PubChem CID 23224237) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
PubChem CID23224237
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
SMILESO=C1CCCC2=C1CC=C(C(F)(F)F)N2
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9-5-4-6-7(14-9)2-1-3-8(6)15/h5,14H,1-4H2
InChIKeyKTMVPJCXMGZMFB-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(Trifluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 2739695
2-Methyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 12798227
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
4-(Difluoromethyl)-1,6,7,8-tetrahydroquinoline-2,5-dione
CID 171830251
6-fluoro-2-methyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168262166
2-propyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 12798234
2-Ethyl-5,6,7,8-tetrahydroquinolin-4(1H)-one
CID 14950475
2-amino-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 21436730
2-prop-2-enyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 67810584
2,3-dimethyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 141330146

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The IUPAC name of 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one (CID 23224237) is 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one.
What is the SMILES notation for 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The canonical SMILES for 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is O=C1CCCC2=C1CC=C(C(F)(F)F)N2.
What is the InChIKey of 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
The InChIKey is KTMVPJCXMGZMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9-5-4-6-7(14-9)2-1-3-8(6)15/h5,14H,1-4H2.
What are the key properties of 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one?
2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one has a molecular weight of 217.19 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one is sourced from PubChem (CID 23224237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).