(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one

C9H6ClF3N2O — CID 154640215

IUPAC(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(Cl)cc2N[C@H]1C(F)(F)F
InChIInChI=1S/C9H6ClF3N2O/c10-4-1-2-5-6(3-4)14-7(8(16)15-5)9(11,12)13/h1-3,7,14H,(H,15,16)/t7-/m1/s1
InChIKeyUZZOWTWMBYANBO-SSDOTTSWSA-N
MW250.61 g/mol
LogP2.63
Rot. Bonds

About (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one

(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 154640215) has the molecular formula C9H6ClF3N2O and a molecular weight of 250.61 g/mol. Its IUPAC name is (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID154640215
Molecular FormulaC9H6ClF3N2O
Molecular Weight250.61 g/mol
Exact Mass250.01
IUPAC Name(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2ccc(Cl)cc2N[C@H]1C(F)(F)F
InChIInChI=1S/C9H6ClF3N2O/c10-4-1-2-5-6(3-4)14-7(8(16)15-5)9(11,12)13/h1-3,7,14H,(H,15,16)/t7-/m1/s1
InChIKeyUZZOWTWMBYANBO-SSDOTTSWSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 113316496
7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290502
3-(2-aminoethyl)-6-chloro-1,3-dihydroindol-2-one
CID 63555127
7-chloro-3-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-quinoxalin-2-one
CID 115289464
5-chloro-2-(trifluoromethyl)-2,3-dihydro-1H-indole
CID 83486702
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
CID 98093390
(3R)-7-chloro-4-hydroxy-3,5-dimethyl-5-(trifluoromethyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 59914970
(3S)-N-[(2,6-dichlorophenyl)methyl]-3-(2-hydroxypropan-2-yl)-2-oxo-3,4-dihydro-1H-quinoxaline-6-carboxamide
CID 171538078
6-chloro-4-(2-cyclopropylethynyl)-3-methyl-4-(trifluoromethyl)-1,3-dihydroquinolin-2-one
CID 20671905
(6aR)-2-chloro-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 122561251
6-chloro-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 21445338
8-chloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 23354292

Frequently Asked Questions

What is the IUPAC name of (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 154640215) is (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2ccc(Cl)cc2N[C@H]1C(F)(F)F.
What is the InChIKey of (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is UZZOWTWMBYANBO-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6ClF3N2O/c10-4-1-2-5-6(3-4)14-7(8(16)15-5)9(11,12)13/h1-3,7,14H,(H,15,16)/t7-/m1/s1.
What are the key properties of (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one?
(3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 250.61 g/mol, XLogP of 2.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-chloro-3-(trifluoromethyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 154640215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).