2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline

C14H6ClF3N2O — CID 139233546

IUPAC2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline
SMILESFc1cc(Oc2cnc3ccccc3n2)c(F)c(F)c1Cl
InChIInChI=1S/C14H6ClF3N2O/c15-12-7(16)5-10(13(17)14(12)18)21-11-6-19-8-3-1-2-4-9(8)20-11/h1-6H
InChIKeyCVPQDAJJAZREPO-UHFFFAOYSA-N
MW310.66 g/mol
LogP4.49
Rot. Bonds2

About 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline

2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline (PubChem CID 139233546) has the molecular formula C14H6ClF3N2O and a molecular weight of 310.66 g/mol. Its IUPAC name is 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline.

Molecular Properties

Compound Name2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline
PubChem CID139233546
Molecular FormulaC14H6ClF3N2O
Molecular Weight310.66 g/mol
Exact Mass310.01
IUPAC Name2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline
SMILESFc1cc(Oc2cnc3ccccc3n2)c(F)c(F)c1Cl
InChIInChI=1S/C14H6ClF3N2O/c15-12-7(16)5-10(13(17)14(12)18)21-11-6-19-8-3-1-2-4-9(8)20-11/h1-6H
InChIKeyCVPQDAJJAZREPO-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.66
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-[(6-Chloro-2-quinoxalinyl)oxy]phenol
CID 10989408
2-(2-Chlorophenoxy)quinoxaline
CID 4269635
2-(4-Nitrophenoxy)quinoxaline
CID 3714373
2-Phenoxyquinoxaline
CID 3734282
4-(3-Fluorophenoxy)pyrrolo[1,2-a]quinoxaline
CID 1471610
2-(4-Chlorophenoxy)-3-(trichloromethyl)quinoxaline
CID 134149467
2-(2-Nitrophenoxy)quinoxaline
CID 1473254
2-(4-Methoxyphenoxy)quinoxaline
CID 3586870
2-(4-Methylphenoxy)quinoxaline
CID 4208060
2-(4-Fluorophenoxy)quinoxaline
CID 4363978
2-(4-Chlorophenoxy)quinoxaline
CID 4680946
4-Phenoxypyrrolo[1,2-a]quinoxaline
CID 1471609

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline?
The IUPAC name of 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline (CID 139233546) is 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline.
What is the SMILES notation for 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline?
The canonical SMILES for 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline is Fc1cc(Oc2cnc3ccccc3n2)c(F)c(F)c1Cl.
What is the InChIKey of 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline?
The InChIKey is CVPQDAJJAZREPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6ClF3N2O/c15-12-7(16)5-10(13(17)14(12)18)21-11-6-19-8-3-1-2-4-9(8)20-11/h1-6H.
What are the key properties of 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline?
2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline has a molecular weight of 310.66 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,3,5-trifluorophenoxy)quinoxaline is sourced from PubChem (CID 139233546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).