4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

C16H10F4N2O3 — CID 24816947

IUPAC4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2c(F)c(F)cc(F)c2F)c2ccccc2N1
InChIInChI=1S/C16H10F4N2O3/c17-8-5-9(18)15(20)16(14(8)19)25-7-13(24)22-6-12(23)21-10-3-1-2-4-11(10)22/h1-5H,6-7H2,(H,21,23)
InChIKeyFLLQMIVJZRBSIP-UHFFFAOYSA-N
MW354.26 g/mol
LogP2.61
Rot. Bonds3

About 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 24816947) has the molecular formula C16H10F4N2O3 and a molecular weight of 354.26 g/mol. Its IUPAC name is 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID24816947
Molecular FormulaC16H10F4N2O3
Molecular Weight354.26 g/mol
Exact Mass354.06
IUPAC Name4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2c(F)c(F)cc(F)c2F)c2ccccc2N1
InChIInChI=1S/C16H10F4N2O3/c17-8-5-9(18)15(20)16(14(8)19)25-7-13(24)22-6-12(23)21-10-3-1-2-4-11(10)22/h1-5H,6-7H2,(H,21,23)
InChIKeyFLLQMIVJZRBSIP-UHFFFAOYSA-N
XLogP2.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one (CID 24816947) is 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2c(F)c(F)cc(F)c2F)c2ccccc2N1.
What is the InChIKey of 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is FLLQMIVJZRBSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2O3/c17-8-5-9(18)15(20)16(14(8)19)25-7-13(24)22-6-12(23)21-10-3-1-2-4-11(10)22/h1-5H,6-7H2,(H,21,23).
What are the key properties of 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 354.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3,5,6-tetrafluorophenoxy)acetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 24816947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).