2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate

C20H15F3O5 — CID 71770774

IUPAC2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate
SMILESO=C1OCC(OCCOC(=O)c2cccc(C(F)(F)F)c2)=C1c1ccccc1
InChIInChI=1S/C20H15F3O5/c21-20(22,23)15-8-4-7-14(11-15)18(24)27-10-9-26-16-12-28-19(25)17(16)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyOYFHKPRYEMLIGX-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.85
Rot. Bonds6

About 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate

2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate (PubChem CID 71770774) has the molecular formula C20H15F3O5 and a molecular weight of 392.33 g/mol. Its IUPAC name is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate
PubChem CID71770774
Molecular FormulaC20H15F3O5
Molecular Weight392.33 g/mol
Exact Mass392.09
IUPAC Name2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate
SMILESO=C1OCC(OCCOC(=O)c2cccc(C(F)(F)F)c2)=C1c1ccccc1
InChIInChI=1S/C20H15F3O5/c21-20(22,23)15-8-4-7-14(11-15)18(24)27-10-9-26-16-12-28-19(25)17(16)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2
InChIKeyOYFHKPRYEMLIGX-UHFFFAOYSA-N
XLogP3.85
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate?
The IUPAC name of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate (CID 71770774) is 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate.
What is the SMILES notation for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate?
The canonical SMILES for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate is O=C1OCC(OCCOC(=O)c2cccc(C(F)(F)F)c2)=C1c1ccccc1.
What is the InChIKey of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate?
The InChIKey is OYFHKPRYEMLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O5/c21-20(22,23)15-8-4-7-14(11-15)18(24)27-10-9-26-16-12-28-19(25)17(16)13-5-2-1-3-6-13/h1-8,11H,9-10,12H2.
What are the key properties of 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate?
2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate has a molecular weight of 392.33 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxo-4-phenyl-2H-furan-3-yl)oxy]ethyl 3-(trifluoromethyl)benzoate is sourced from PubChem (CID 71770774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).