1-(trifluoromethyl)-2,3-dihydroquinolin-4-one

C10H8F3NO — CID 154458807

IUPAC1-(trifluoromethyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO/c11-10(12,13)14-6-5-9(15)7-3-1-2-4-8(7)14/h1-4H,5-6H2
InChIKeyWGKSVEZJJLTWDW-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.60
Rot. Bonds

About 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one

1-(trifluoromethyl)-2,3-dihydroquinolin-4-one (PubChem CID 154458807) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3-dihydroquinolin-4-one
PubChem CID154458807
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name1-(trifluoromethyl)-2,3-dihydroquinolin-4-one
SMILESO=C1CCN(C(F)(F)F)c2ccccc21
InChIInChI=1S/C10H8F3NO/c11-10(12,13)14-6-5-9(15)7-3-1-2-4-8(7)14/h1-4H,5-6H2
InChIKeyWGKSVEZJJLTWDW-UHFFFAOYSA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Cridanimod
CID 38072
4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
N-Methylacridone
CID 69751
2,8-Bis(trifluoromethyl)quinolin-4-ol
CID 736140
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
7-(Trifluorophenyl)quinolin-4-ol
CID 67582
1-[3-Fluoro-4-(piperidin-1-yl)phenyl]ethan-1-one
CID 775592
8-Methyl-2-(trifluoromethyl)-4-quinolinol
CID 2775089
1,2,3,4-Tetrahydroacridone
CID 95996
2-(Trifluoromethyl)quinolin-4-ol
CID 314576

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one (CID 154458807) is 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one is O=C1CCN(C(F)(F)F)c2ccccc21.
What is the InChIKey of 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
The InChIKey is WGKSVEZJJLTWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)14-6-5-9(15)7-3-1-2-4-8(7)14/h1-4H,5-6H2.
What are the key properties of 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one?
1-(trifluoromethyl)-2,3-dihydroquinolin-4-one has a molecular weight of 215.17 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 154458807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).