2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride

C18H13ClF3N2O4- — CID 86740146

IUPAC2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
SMILESCC(Oc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1)C(=O)O.[Cl-]
InChIInChI=1S/C18H13F3N2O4.ClH/c1-10(17(24)25)26-12-3-5-13(6-4-12)27-16-9-22-15-8-11(18(19,20)21)2-7-14(15)23-16;/h2-10H,1H3,(H,24,25);1H/p-1
InChIKeyFSWONWAHRWTWIY-UHFFFAOYSA-M
MW413.76 g/mol
LogP1.30
Rot. Bonds5

About 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride

2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride (PubChem CID 86740146) has the molecular formula C18H13ClF3N2O4- and a molecular weight of 413.76 g/mol. Its IUPAC name is 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride.

Molecular Properties

Compound Name2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
PubChem CID86740146
Molecular FormulaC18H13ClF3N2O4-
Molecular Weight413.76 g/mol
Exact Mass413.05
IUPAC Name2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride
SMILESCC(Oc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1)C(=O)O.[Cl-]
InChIInChI=1S/C18H13F3N2O4.ClH/c1-10(17(24)25)26-12-3-5-13(6-4-12)27-16-9-22-15-8-11(18(19,20)21)2-7-14(15)23-16;/h2-10H,1H3,(H,24,25);1H/p-1
InChIKeyFSWONWAHRWTWIY-UHFFFAOYSA-M
XLogP1.30
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.76
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride?
The IUPAC name of 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride (CID 86740146) is 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride.
What is the SMILES notation for 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride?
The canonical SMILES for 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride is CC(Oc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1)C(=O)O.[Cl-].
What is the InChIKey of 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride?
The InChIKey is FSWONWAHRWTWIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H13F3N2O4.ClH/c1-10(17(24)25)26-12-3-5-13(6-4-12)27-16-9-22-15-8-11(18(19,20)21)2-7-14(15)23-16;/h2-10H,1H3,(H,24,25);1H/p-1.
What are the key properties of 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride?
2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride has a molecular weight of 413.76 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(trifluoromethyl)quinoxalin-2-yl]oxyphenoxy]propanoic acid chloride is sourced from PubChem (CID 86740146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).