[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid

C10H10F2N3O4P — CID 126704621

IUPAC[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid
SMILESNn1c(=O)c(CC(F)(F)P(=O)(O)O)nc2ccccc21
InChIInChI=1S/C10H10F2N3O4P/c11-10(12,20(17,18)19)5-7-9(16)15(13)8-4-2-1-3-6(8)14-7/h1-4H,5,13H2,(H2,17,18,19)
InChIKeyUZOSDFKAKOALQV-UHFFFAOYSA-N
MW305.18 g/mol
LogP0.42
Rot. Bonds3

About [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid

[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid (PubChem CID 126704621) has the molecular formula C10H10F2N3O4P and a molecular weight of 305.18 g/mol. Its IUPAC name is [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid.

Molecular Properties

Compound Name[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid
PubChem CID126704621
Molecular FormulaC10H10F2N3O4P
Molecular Weight305.18 g/mol
Exact Mass305.04
IUPAC Name[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid
SMILESNn1c(=O)c(CC(F)(F)P(=O)(O)O)nc2ccccc21
InChIInChI=1S/C10H10F2N3O4P/c11-10(12,20(17,18)19)5-7-9(16)15(13)8-4-2-1-3-6(8)14-7/h1-4H,5,13H2,(H2,17,18,19)
InChIKeyUZOSDFKAKOALQV-UHFFFAOYSA-N
XLogP0.42
TPSA118.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-propylquinoxalin-2-one
CID 123596583
[(E)-2-(4-amino-3-oxoquinoxalin-2-yl)ethenyl]-(benzoyloxymethoxy)phosphinic acid
CID 126704556
[3-(4-amino-3-oxoquinoxalin-2-yl)-3-oxopropyl]-(benzoyloxymethoxy)phosphinic acid
CID 126704628
1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
CID 162372194
potassium (1-ethylbenzimidazol-2-yl)-methylphosphinate
CID 45142969
sodium (1-ethylbenzimidazol-2-yl)-methylphosphinate
CID 23707910
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
(1S)-1-(1-aminobenzimidazol-2-yl)ethanol
CID 6543863
3-amino-1-(3-methylbut-2-enyl)quinoxalin-2-one
CID 139679717
3-(iodomethyl)-1-prop-2-enylquinoxalin-2-one
CID 163564919
2-[2-(1,1,2,2,2-pentafluoroethyl)benzimidazol-1-yl]acetic acid
CID 43248585

Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid?
The IUPAC name of [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid (CID 126704621) is [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid.
What is the SMILES notation for [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid?
The canonical SMILES for [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid is Nn1c(=O)c(CC(F)(F)P(=O)(O)O)nc2ccccc21.
What is the InChIKey of [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid?
The InChIKey is UZOSDFKAKOALQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N3O4P/c11-10(12,20(17,18)19)5-7-9(16)15(13)8-4-2-1-3-6(8)14-7/h1-4H,5,13H2,(H2,17,18,19).
What are the key properties of [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid?
[2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid has a molecular weight of 305.18 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-3-oxoquinoxalin-2-yl)-1,1-difluoroethyl]phosphonic acid is sourced from PubChem (CID 126704621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).