1-(trifluoromethyl)quinolin-4-one

C10H6F3NO — CID 91004636

IUPAC1-(trifluoromethyl)quinolin-4-one
SMILESO=c1ccn(C(F)(F)F)c2ccccc12
InChIInChI=1S/C10H6F3NO/c11-10(12,13)14-6-5-9(15)7-3-1-2-4-8(7)14/h1-6H
InChIKeyCTSQIURKRHUJES-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.48
Rot. Bonds

About 1-(trifluoromethyl)quinolin-4-one

1-(trifluoromethyl)quinolin-4-one (PubChem CID 91004636) has the molecular formula C10H6F3NO and a molecular weight of 213.16 g/mol. Its IUPAC name is 1-(trifluoromethyl)quinolin-4-one.

Molecular Properties

Compound Name1-(trifluoromethyl)quinolin-4-one
PubChem CID91004636
Molecular FormulaC10H6F3NO
Molecular Weight213.16 g/mol
Exact Mass213.04
IUPAC Name1-(trifluoromethyl)quinolin-4-one
SMILESO=c1ccn(C(F)(F)F)c2ccccc12
InChIInChI=1S/C10H6F3NO/c11-10(12,13)14-6-5-9(15)7-3-1-2-4-8(7)14/h1-6H
InChIKeyCTSQIURKRHUJES-UHFFFAOYSA-N
XLogP2.48
TPSA22.00 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 ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)quinolin-4-one?
The IUPAC name of 1-(trifluoromethyl)quinolin-4-one (CID 91004636) is 1-(trifluoromethyl)quinolin-4-one.
What is the SMILES notation for 1-(trifluoromethyl)quinolin-4-one?
The canonical SMILES for 1-(trifluoromethyl)quinolin-4-one is O=c1ccn(C(F)(F)F)c2ccccc12.
What is the InChIKey of 1-(trifluoromethyl)quinolin-4-one?
The InChIKey is CTSQIURKRHUJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO/c11-10(12,13)14-6-5-9(15)7-3-1-2-4-8(7)14/h1-6H.
What are the key properties of 1-(trifluoromethyl)quinolin-4-one?
1-(trifluoromethyl)quinolin-4-one has a molecular weight of 213.16 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)quinolin-4-one is sourced from PubChem (CID 91004636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).