1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione

C14H14F2N2O2 — CID 30566111

IUPAC1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
SMILESCC(C)Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O
InChIInChI=1S/C14H14F2N2O2/c1-9(2)8-17-5-6-18(14(20)13(17)19)10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3
InChIKeyUZVLKRVSSOYJSQ-UHFFFAOYSA-N
MW280.27 g/mol
LogP1.93
Rot. Bonds3

About 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione

1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione (PubChem CID 30566111) has the molecular formula C14H14F2N2O2 and a molecular weight of 280.27 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
PubChem CID30566111
Molecular FormulaC14H14F2N2O2
Molecular Weight280.27 g/mol
Exact Mass280.10
IUPAC Name1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione
SMILESCC(C)Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O
InChIInChI=1S/C14H14F2N2O2/c1-9(2)8-17-5-6-18(14(20)13(17)19)10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3
InChIKeyUZVLKRVSSOYJSQ-UHFFFAOYSA-N
XLogP1.93
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The IUPAC name of 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione (CID 30566111) is 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione is CC(C)Cn1ccn(-c2ccc(F)c(F)c2)c(=O)c1=O.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
The InChIKey is UZVLKRVSSOYJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2/c1-9(2)8-17-5-6-18(14(20)13(17)19)10-3-4-11(15)12(16)7-10/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione?
1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione has a molecular weight of 280.27 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-(2-methylpropyl)pyrazine-2,3-dione is sourced from PubChem (CID 30566111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).