ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate

C11H8F7NO3 — CID 134659768

IUPACethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)(F)F)c(F)c(C(F)(F)F)n1
InChIInChI=1S/C11H8F7NO3/c1-2-21-7(20)4-5-3-6(22-11(16,17)18)8(12)9(19-5)10(13,14)15/h3H,2,4H2,1H3
InChIKeyAKOYZPXSDASHTE-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.24
Rot. Bonds4

About ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate

ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 134659768) has the molecular formula C11H8F7NO3 and a molecular weight of 335.18 g/mol. Its IUPAC name is ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID134659768
Molecular FormulaC11H8F7NO3
Molecular Weight335.18 g/mol
Exact Mass335.04
IUPAC Nameethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(OC(F)(F)F)c(F)c(C(F)(F)F)n1
InChIInChI=1S/C11H8F7NO3/c1-2-21-7(20)4-5-3-6(22-11(16,17)18)8(12)9(19-5)10(13,14)15/h3H,2,4H2,1H3
InChIKeyAKOYZPXSDASHTE-UHFFFAOYSA-N
XLogP3.24
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate with MolForge

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Related Compounds

3-fluoro-6-(fluoromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134680375
ethyl 2-[6-methoxy-5-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681825
ethyl 2-[5-methoxy-6-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134660565
ethyl 2-[4-(aminomethyl)-5-fluoro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134658943
ethyl 2-[3-hydroxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134666262
ethyl 2-[4,6-bis(trifluoromethyl)-2-pyridinyl]acetate
CID 171030486
ethyl 2-[3-methoxy-2-(trifluoromethoxy)-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 134681442
ethyl 2-[2-(aminomethyl)-6-methyl-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133085618
ethyl 2-[4-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134679428
ethyl 2-[5-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133096647
ethyl 2-[6-amino-2-(aminomethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 133086121
ethyl 2-[5-amino-4-(aminomethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 133086133

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate (CID 134659768) is ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1cc(OC(F)(F)F)c(F)c(C(F)(F)F)n1.
What is the InChIKey of ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is AKOYZPXSDASHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO3/c1-2-21-7(20)4-5-3-6(22-11(16,17)18)8(12)9(19-5)10(13,14)15/h3H,2,4H2,1H3.
What are the key properties of ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 335.18 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-fluoro-4-(trifluoromethoxy)-6-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 134659768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).