3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one

C12H8F3NO2 — CID 122377198

IUPAC3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C12H8F3NO2/c1-6(17)9-5-7-4-8(12(13,14)15)2-3-10(7)16-11(9)18/h2-5H,1H3,(H,16,18)
InChIKeyBVEHHWKZRZHJDQ-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.75
Rot. Bonds1

About 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one

3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one (PubChem CID 122377198) has the molecular formula C12H8F3NO2 and a molecular weight of 255.19 g/mol. Its IUPAC name is 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
PubChem CID122377198
Molecular FormulaC12H8F3NO2
Molecular Weight255.19 g/mol
Exact Mass255.05
IUPAC Name3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one
SMILESCC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]c1=O
InChIInChI=1S/C12H8F3NO2/c1-6(17)9-5-7-4-8(12(13,14)15)2-3-10(7)16-11(9)18/h2-5H,1H3,(H,16,18)
InChIKeyBVEHHWKZRZHJDQ-UHFFFAOYSA-N
XLogP2.75
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-oxo-6-(trifluoromethyl)-1H-quinolin-3-yl]acetic acid
CID 68754879
6-tert-butyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690291
3-chloro-6-(trifluoromethyl)-1H-quinolin-2-one
CID 146035766
2-oxo-6-[3-(trifluoromethyl)phenyl]-1H-quinoline-3-carboxylic acid
CID 91900847
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
6-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione;hydrochloride
CID 140995294
6-fluoro-3-(6-fluoro-2-oxo-1H-quinoline-3-carbonyl)-1H-quinolin-2-one
CID 67008016
[5-(trifluoromethyl)-1H-indol-2-yl]methyl propanoate
CID 174546520
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanone
CID 67378249
3-(hydroxymethyl)-6-(trifluoromethyl)-1H-quinoxalin-2-one
CID 123788014
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
3-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 55586709

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The IUPAC name of 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one (CID 122377198) is 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one.
What is the SMILES notation for 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The canonical SMILES for 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one is CC(=O)c1cc2cc(C(F)(F)F)ccc2[nH]c1=O.
What is the InChIKey of 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one?
The InChIKey is BVEHHWKZRZHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO2/c1-6(17)9-5-7-4-8(12(13,14)15)2-3-10(7)16-11(9)18/h2-5H,1H3,(H,16,18).
What are the key properties of 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one?
3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one has a molecular weight of 255.19 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-(trifluoromethyl)-1H-quinolin-2-one is sourced from PubChem (CID 122377198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).