2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one

C10H8F3NO — CID 12990251

IUPAC2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-4,9,14H,5H2
InChIKeyYXGNWPWLAPOWNZ-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.62
Rot. Bonds

About 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one

2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one (PubChem CID 12990251) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
PubChem CID12990251
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
SMILESO=C1CC(C(F)(F)F)Nc2ccccc21
InChIInChI=1S/C10H8F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-4,9,14H,5H2
InChIKeyYXGNWPWLAPOWNZ-UHFFFAOYSA-N
XLogP2.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoxaline
CID 84670481
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695
2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 68879518
2-[(2R)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 71035225
CID 56964004
CID 56964004
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
(2R,3S)-2-phenyl-3-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 122219659
2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol
CID 142932748
2-(4-oxo-2,3-dihydro-1H-quinolin-2-yl)phenolate;hydrofluoride
CID 139262353

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
The IUPAC name of 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one (CID 12990251) is 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one.
What is the SMILES notation for 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
The canonical SMILES for 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one is O=C1CC(C(F)(F)F)Nc2ccccc21.
What is the InChIKey of 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
The InChIKey is YXGNWPWLAPOWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)9-5-8(15)6-3-1-2-4-7(6)14-9/h1-4,9,14H,5H2.
What are the key properties of 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one?
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one has a molecular weight of 215.17 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one is sourced from PubChem (CID 12990251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).