ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate

C11H12F3NO3 — CID 154356327

IUPACethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1c(F)cnc(F)c1F
InChIInChI=1S/C11H12F3NO3/c1-4-17-10(16)11(2,3)18-8-6(12)5-15-9(14)7(8)13/h5H,4H2,1-3H3
InChIKeyKHHIVNAVMHJUFR-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate

ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate (PubChem CID 154356327) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate
PubChem CID154356327
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Nameethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate
SMILESCCOC(=O)C(C)(C)Oc1c(F)cnc(F)c1F
InChIInChI=1S/C11H12F3NO3/c1-4-17-10(16)11(2,3)18-8-6(12)5-15-9(14)7(8)13/h5H,4H2,1-3H3
InChIKeyKHHIVNAVMHJUFR-UHFFFAOYSA-N
XLogP2.22
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate?
The IUPAC name of ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate (CID 154356327) is ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate.
What is the SMILES notation for ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate?
The canonical SMILES for ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate is CCOC(=O)C(C)(C)Oc1c(F)cnc(F)c1F.
What is the InChIKey of ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate?
The InChIKey is KHHIVNAVMHJUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-4-17-10(16)11(2,3)18-8-6(12)5-15-9(14)7(8)13/h5H,4H2,1-3H3.
What are the key properties of ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate?
ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate has a molecular weight of 263.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-[(2,3,5-trifluoro-4-pyridinyl)oxy]propanoate is sourced from PubChem (CID 154356327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).