3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one

C10H7F3N2O2 — CID 175542430

IUPAC3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C(O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)8(16)7-9(17)15-6-4-2-1-3-5(6)14-7/h1-4,8,16H,(H,15,17)
InChIKeyHNEQXVPATPNDEQ-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.52
Rot. Bonds1

About 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one

3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one (PubChem CID 175542430) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one
PubChem CID175542430
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one
SMILESO=c1[nH]c2ccccc2nc1C(O)C(F)(F)F
InChIInChI=1S/C10H7F3N2O2/c11-10(12,13)8(16)7-9(17)15-6-4-2-1-3-5(6)14-7/h1-4,8,16H,(H,15,17)
InChIKeyHNEQXVPATPNDEQ-UHFFFAOYSA-N
XLogP1.52
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-oxo-4H-quinoxalin-2-yl)butanoate
CID 57348314
3-[(S)-(4-bromophenyl)-chloromethyl]-1H-quinoxalin-2-one
CID 40543846
3-(2-acetyl-3-hydroxy-1-phenylbutyl)-1H-quinoxalin-2-one
CID 148978696
2-[(1R)-1,2,2,2-tetrafluoroethyl]-1H-benzimidazole
CID 683204
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
3-[(E)-hydroxyiminomethyl]-1H-quinoxalin-2-one
CID 137037919
3-(1H-benzimidazole-2-carbonyl)-1H-quinoxalin-2-one
CID 13425945
3-[(4-methylanilino)-phenylmethyl]-1H-quinoxalin-2-one
CID 3524572
3-(7-chloro-1,1-difluoroheptyl)-1H-quinoxalin-2-one
CID 71653952
3-(2-hydroxy-3,3-dimethylbut-1-enyl)-1H-quinoxalin-2-one
CID 702935
3-[bis(2-methylpropyl)phosphoryl]-1H-quinoxalin-2-one
CID 132601229
3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]-1H-quinoxalin-2-one
CID 103864994

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one?
The IUPAC name of 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one (CID 175542430) is 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one is O=c1[nH]c2ccccc2nc1C(O)C(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one?
The InChIKey is HNEQXVPATPNDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c11-10(12,13)8(16)7-9(17)15-6-4-2-1-3-5(6)14-7/h1-4,8,16H,(H,15,17).
What are the key properties of 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one?
3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one has a molecular weight of 244.17 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoro-1-hydroxyethyl)-1H-quinoxalin-2-one is sourced from PubChem (CID 175542430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).