5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one

C17H10F3NO — CID 158382091

IUPAC5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one
SMILESO=C1C2=C(Cc3ccccc32)C(C(F)(F)F)c2ccncc21
InChIInChI=1S/C17H10F3NO/c18-17(19,20)15-11-5-6-21-8-13(11)16(22)14-10-4-2-1-3-9(10)7-12(14)15/h1-6,8,15H,7H2
InChIKeyGVXOEZHFAKEOCG-UHFFFAOYSA-N
MW301.27 g/mol
LogP3.93
Rot. Bonds

About 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one

5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one (PubChem CID 158382091) has the molecular formula C17H10F3NO and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one
PubChem CID158382091
Molecular FormulaC17H10F3NO
Molecular Weight301.27 g/mol
Exact Mass301.07
IUPAC Name5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one
SMILESO=C1C2=C(Cc3ccccc32)C(C(F)(F)F)c2ccncc21
InChIInChI=1S/C17H10F3NO/c18-17(19,20)15-11-5-6-21-8-13(11)16(22)14-10-4-2-1-3-9(10)7-12(14)15/h1-6,8,15H,7H2
InChIKeyGVXOEZHFAKEOCG-UHFFFAOYSA-N
XLogP3.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-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

10,11-dihydroindeno[1,2-g]isoquinolin-5-one
CID 158133911
9H-indeno[2,1-c]pyridine
CID 597466
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one;(NE)-N-(6-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-ylidene)hydroxylamine
CID 172941326
cadmium;9H-fluorene
CID 175337736
10H-anthracen-9-one;fluoren-9-one
CID 67642372
9H-fluorene;2,2,2-trifluoroethanesulfonic acid
CID 160817133
5,6-dihydrobenzo[f]isoquinoline
CID 14566470
3-methyl-2-pyridin-3-yl-3,4-dihydro-2H-naphthalen-1-one
CID 11586733
5,8-diazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2(7),3,5,11,13,15-heptaene
CID 144848540
10H-anthracen-9-one;1,3-thiazole
CID 70599678
CID 171415133
CID 171415133

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one?
The IUPAC name of 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one (CID 158382091) is 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one.
What is the SMILES notation for 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one?
The canonical SMILES for 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one is O=C1C2=C(Cc3ccccc32)C(C(F)(F)F)c2ccncc21.
What is the InChIKey of 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one?
The InChIKey is GVXOEZHFAKEOCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO/c18-17(19,20)15-11-5-6-21-8-13(11)16(22)14-10-4-2-1-3-9(10)7-12(14)15/h1-6,8,15H,7H2.
What are the key properties of 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one?
5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one has a molecular weight of 301.27 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-5,6-dihydroindeno[2,1-g]isoquinolin-11-one is sourced from PubChem (CID 158382091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).