methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate

C15H12F3NO4 — CID 139703755

IUPACmethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
SMILESCOC(=O)COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H12F3NO4/c1-21-14(20)9-22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-8H,9H2,1H3
InChIKeyVMYHCWKOLPRIQE-UHFFFAOYSA-N
MW327.26 g/mol
LogP3.44
Rot. Bonds5

About methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate

methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate (PubChem CID 139703755) has the molecular formula C15H12F3NO4 and a molecular weight of 327.26 g/mol. Its IUPAC name is methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
PubChem CID139703755
Molecular FormulaC15H12F3NO4
Molecular Weight327.26 g/mol
Exact Mass327.07
IUPAC Namemethyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
SMILESCOC(=O)COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C15H12F3NO4/c1-21-14(20)9-22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-8H,9H2,1H3
InChIKeyVMYHCWKOLPRIQE-UHFFFAOYSA-N
XLogP3.44
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl 2-methyl-2-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylamino]propanoate
CID 118176606
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
methyl 3-phenyl-3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 24532609
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
N-methyl-2-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetamide
CID 100689832
methyl 2-[4-[1,1-bis[4-(2-methoxy-2-oxoethoxy)phenyl]ethyl]phenoxy]acetate
CID 11519263
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
N'-[2-(2-ethoxyphenoxy)acetyl]-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzohydrazide
CID 24532076
butyl 2-methyl-3-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]propanoate
CID 150451015

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate?
The IUPAC name of methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate (CID 139703755) is methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate.
What is the SMILES notation for methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate?
The canonical SMILES for methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate is COC(=O)COc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate?
The InChIKey is VMYHCWKOLPRIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3NO4/c1-21-14(20)9-22-11-3-5-12(6-4-11)23-13-7-2-10(8-19-13)15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate?
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate has a molecular weight of 327.26 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate is sourced from PubChem (CID 139703755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).