1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one

C12H9F3N2O2 — CID 142672015

IUPAC1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
SMILESO=c1cnccn1CCOc1cc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2O2/c13-8-5-10(15)11(6-9(8)14)19-4-3-17-2-1-16-7-12(17)18/h1-2,5-7H,3-4H2
InChIKeyNFAACVRKOPKFFL-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.74
Rot. Bonds4

About 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one

1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one (PubChem CID 142672015) has the molecular formula C12H9F3N2O2 and a molecular weight of 270.21 g/mol. Its IUPAC name is 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one.

Molecular Properties

Compound Name1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
PubChem CID142672015
Molecular FormulaC12H9F3N2O2
Molecular Weight270.21 g/mol
Exact Mass270.06
IUPAC Name1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one
SMILESO=c1cnccn1CCOc1cc(F)c(F)cc1F
InChIInChI=1S/C12H9F3N2O2/c13-8-5-10(15)11(6-9(8)14)19-4-3-17-2-1-16-7-12(17)18/h1-2,5-7H,3-4H2
InChIKeyNFAACVRKOPKFFL-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
The IUPAC name of 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one (CID 142672015) is 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one.
What is the SMILES notation for 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
The canonical SMILES for 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one is O=c1cnccn1CCOc1cc(F)c(F)cc1F.
What is the InChIKey of 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
The InChIKey is NFAACVRKOPKFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O2/c13-8-5-10(15)11(6-9(8)14)19-4-3-17-2-1-16-7-12(17)18/h1-2,5-7H,3-4H2.
What are the key properties of 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one?
1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one has a molecular weight of 270.21 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4,5-trifluorophenoxy)ethyl]pyrazin-2-one is sourced from PubChem (CID 142672015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).