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

C17H15ClF3NO4 — CID 12897238

IUPACethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl
InChIInChI=1S/C17H15ClF3NO4/c1-3-24-16(23)10(2)25-14-6-5-12(8-13(14)18)26-15-7-4-11(9-22-15)17(19,20)21/h4-10H,3H2,1-2H3
InChIKeyMHRXOFKWQXWZDD-UHFFFAOYSA-N
MW389.76 g/mol
LogP4.88
Rot. Bonds6

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

ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (PubChem CID 12897238) has the molecular formula C17H15ClF3NO4 and a molecular weight of 389.76 g/mol. Its IUPAC name is ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
PubChem CID12897238
Molecular FormulaC17H15ClF3NO4
Molecular Weight389.76 g/mol
Exact Mass389.06
IUPAC Nameethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl
InChIInChI=1S/C17H15ClF3NO4/c1-3-24-16(23)10(2)25-14-6-5-12(8-13(14)18)26-15-7-4-11(9-22-15)17(19,20)21/h4-10H,3H2,1-2H3
InChIKeyMHRXOFKWQXWZDD-UHFFFAOYSA-N
XLogP4.88
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.76
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The IUPAC name of ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate (CID 12897238) is ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1Cl.
What is the InChIKey of ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
The InChIKey is MHRXOFKWQXWZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF3NO4/c1-3-24-16(23)10(2)25-14-6-5-12(8-13(14)18)26-15-7-4-11(9-22-15)17(19,20)21/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate?
ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate has a molecular weight of 389.76 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-chloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate is sourced from PubChem (CID 12897238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).