8-(trifluoromethyl)-4aH-quinolin-4-one

C10H6F3NO — CID 78170034

IUPAC8-(trifluoromethyl)-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C(C(F)(F)F)=CC=CC12
InChIInChI=1S/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-6H
InChIKeyPHOYUUMJAHRHDJ-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.20
Rot. Bonds

About 8-(trifluoromethyl)-4aH-quinolin-4-one

8-(trifluoromethyl)-4aH-quinolin-4-one (PubChem CID 78170034) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 8-(trifluoromethyl)-4aH-quinolin-4-one.

Molecular Properties

Compound Name8-(trifluoromethyl)-4aH-quinolin-4-one
PubChem CID78170034
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name8-(trifluoromethyl)-4aH-quinolin-4-one
SMILESO=C1C=CN=C2C(C(F)(F)F)=CC=CC12
InChIInChI=1S/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-6H
InChIKeyPHOYUUMJAHRHDJ-UHFFFAOYSA-N
XLogP2.20
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-(trifluoromethyl)-4aH-quinolin-4-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

4aH-quinolin-4-one
CID 45074595
2-(trifluoromethyl)-4aH-quinolin-4-one
CID 71302372
6-chloro-7-fluoro-4aH-quinolin-4-one
CID 71303946
6-fluoro-7-methyl-4aH-quinolin-4-one
CID 71303961
7-Fluoro-8-methylidenequinolin-4-one
CID 71304041
8-chloro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304086
8-fluoro-6-(trifluoromethyl)-4aH-quinolin-4-one
CID 71304096
7-chloro-6-fluoro-4aH-quinolin-4-one
CID 72740927
2-propyl-8-(trifluoromethyl)-8H-quinolin-4-one
CID 73358293
5,7-difluoro-4aH-quinolin-4-one
CID 74878717
7-fluoro-4aH-quinolin-4-one
CID 76538925
2-methyl-8-(trifluoromethyl)-4aH-quinolin-4-one
CID 77620574

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-4aH-quinolin-4-one?
The IUPAC name of 8-(trifluoromethyl)-4aH-quinolin-4-one (CID 78170034) is 8-(trifluoromethyl)-4aH-quinolin-4-one.
What is the SMILES notation for 8-(trifluoromethyl)-4aH-quinolin-4-one?
The canonical SMILES for 8-(trifluoromethyl)-4aH-quinolin-4-one is O=C1C=CN=C2C(C(F)(F)F)=CC=CC12.
What is the InChIKey of 8-(trifluoromethyl)-4aH-quinolin-4-one?
The InChIKey is PHOYUUMJAHRHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)7-3-1-2-6-8(15)4-5-14-9(6)7/h1-6H.
What are the key properties of 8-(trifluoromethyl)-4aH-quinolin-4-one?
8-(trifluoromethyl)-4aH-quinolin-4-one has a molecular weight of 213.16 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-4aH-quinolin-4-one is sourced from PubChem (CID 78170034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).