ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

C17H16F3NO4 — CID 12877618

IUPACethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H16F3NO4/c1-3-23-16(22)11(2)24-13-5-7-14(8-6-13)25-15-9-4-12(10-21-15)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyHAOQBZWAEQYLKW-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.22
Rot. Bonds6

About ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate

ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (PubChem CID 12877618) has the molecular formula C17H16F3NO4 and a molecular weight of 355.31 g/mol. Its IUPAC name is ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
PubChem CID12877618
Molecular FormulaC17H16F3NO4
Molecular Weight355.31 g/mol
Exact Mass355.10
IUPAC Nameethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C17H16F3NO4/c1-3-23-16(22)11(2)24-13-5-7-14(8-6-13)25-15-9-4-12(10-21-15)17(18,19)20/h4-11H,3H2,1-2H3
InChIKeyHAOQBZWAEQYLKW-UHFFFAOYSA-N
XLogP4.22
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate with MolForge

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

Launch Full Analysis

Related Compounds

Clodinafop-propargyl
CID 92431
Pyriproxyfen
CID 91753
Fluazifop-butyl
CID 50897
Fluazifop-p-butyl
CID 3033674
Haloxyfop-P
CID 448979
Fluazifop
CID 91701
Haloxyfop
CID 50895
Haloxyfop-methyl
CID 50896
haloxyfop-P-methyl
CID 13363033
4-(5-Trifluoromethyl-pyridin-2-yloxy)-phenol
CID 155241
Fluazifop-P
CID 91733
Haloxyfop-etotyl
CID 91743

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (CID 12877618) is ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The InChIKey is HAOQBZWAEQYLKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO4/c1-3-23-16(22)11(2)24-13-5-7-14(8-6-13)25-15-9-4-12(10-21-15)17(18,19)20/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate has a molecular weight of 355.31 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is sourced from PubChem (CID 12877618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).