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

C10H8F3NO — CID 162620911

IUPAC5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2C(F)(F)F)N1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-2-1-3-8-6(7)4-5-9(15)14-8/h1-3H,4-5H2,(H,14,15)
InChIKeyPQAYMSPEBYAVGS-UHFFFAOYSA-N
MW215.17 g/mol
LogP2.59
Rot. Bonds

About 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one

5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 162620911) has the molecular formula C10H8F3NO and a molecular weight of 215.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID162620911
Molecular FormulaC10H8F3NO
Molecular Weight215.17 g/mol
Exact Mass215.06
IUPAC Name5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2c(cccc2C(F)(F)F)N1
InChIInChI=1S/C10H8F3NO/c11-10(12,13)7-2-1-3-8-6(7)4-5-9(15)14-8/h1-3H,4-5H2,(H,14,15)
InChIKeyPQAYMSPEBYAVGS-UHFFFAOYSA-N
XLogP2.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-bis(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 82213230
5-methyl-6-(trifluoromethyl)-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115098284
6-bromo-5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one
CID 117209531
5-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
CID 84655921
4-(4-methoxyphenyl)-6-(trifluoromethyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 15167078
5-(1-hydroxycyclopropyl)-3,4-dihydro-1H-quinolin-2-one
CID 117291601
2-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)isoindole-1,3-dione
CID 168517670
6-(trifluoromethyl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 115098323
2-ethyl-5-(trifluoromethyl)-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193393
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
1-(2-oxo-3,4-dihydro-1H-quinolin-5-yl)cyclopentane-1-carboxylic acid
CID 117401838
1-(trifluoromethyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 169495028

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one (CID 162620911) is 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2c(cccc2C(F)(F)F)N1.
What is the InChIKey of 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is PQAYMSPEBYAVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO/c11-10(12,13)7-2-1-3-8-6(7)4-5-9(15)14-8/h1-3H,4-5H2,(H,14,15).
What are the key properties of 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one?
5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 215.17 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 162620911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).