6-(trifluoromethoxy)-1H-quinolin-4-one

C10H6F3NO2 — CID 2775104

IUPAC6-(trifluoromethoxy)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKeyLFCAVZDSLWEEOX-UHFFFAOYSA-N
MW229.16 g/mol
LogP2.43
Rot. Bonds1

About 6-(trifluoromethoxy)-1H-quinolin-4-one

6-(trifluoromethoxy)-1H-quinolin-4-one (PubChem CID 2775104) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 6-(trifluoromethoxy)-1H-quinolin-4-one.

Molecular Properties

Compound Name6-(trifluoromethoxy)-1H-quinolin-4-one
PubChem CID2775104
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name6-(trifluoromethoxy)-1H-quinolin-4-one
SMILESO=c1cc[nH]c2ccc(OC(F)(F)F)cc12
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15)
InChIKeyLFCAVZDSLWEEOX-UHFFFAOYSA-N
XLogP2.43
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N1-acetyl-N2-formyl-5-methoxykynuramine
CID 171161
6-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 622180
5-(trifluoromethoxy)-2,3-dihydro-1H-indole-2,3-dione
CID 2732752
6-(Trifluoromethoxy)-2-(trifluoromethyl)quinolin-4(1H)-one
CID 2775106
6-Methoxy-2-phenyl-4-quinolone
CID 124348
Ethyl 6-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylate
CID 228284
2-Methoxy-9(10H)-acridone
CID 407032
6-Ethoxy-4-hydroxy-quinoline-3-carboxylic acid benzylamide
CID 18473135
N1-Acetyl-5-methoxykynuramine
CID 390658
6-Ethoxy-2-methyl-4-quinolinol
CID 730934
6-Methoxy-2-methylquinolin-4-ol
CID 316987
4,6-Dihydroxyquinoline
CID 440738

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethoxy)-1H-quinolin-4-one?
The IUPAC name of 6-(trifluoromethoxy)-1H-quinolin-4-one (CID 2775104) is 6-(trifluoromethoxy)-1H-quinolin-4-one.
What is the SMILES notation for 6-(trifluoromethoxy)-1H-quinolin-4-one?
The canonical SMILES for 6-(trifluoromethoxy)-1H-quinolin-4-one is O=c1cc[nH]c2ccc(OC(F)(F)F)cc12.
What is the InChIKey of 6-(trifluoromethoxy)-1H-quinolin-4-one?
The InChIKey is LFCAVZDSLWEEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)16-6-1-2-8-7(5-6)9(15)3-4-14-8/h1-5H,(H,14,15).
What are the key properties of 6-(trifluoromethoxy)-1H-quinolin-4-one?
6-(trifluoromethoxy)-1H-quinolin-4-one has a molecular weight of 229.16 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethoxy)-1H-quinolin-4-one is sourced from PubChem (CID 2775104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).