methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate

C16H14F3NO4 — CID 138394699

IUPACmethyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H14F3NO4/c1-23-15(22)14(21)11-6-3-2-5-10(11)9-24-13-8-4-7-12(20-13)16(17,18)19/h2-8,14,21H,9H2,1H3
InChIKeyBYVRNZHDJMVRCZ-UHFFFAOYSA-N
MW341.29 g/mol
LogP2.89
Rot. Bonds5

About methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate

methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate (PubChem CID 138394699) has the molecular formula C16H14F3NO4 and a molecular weight of 341.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate
PubChem CID138394699
Molecular FormulaC16H14F3NO4
Molecular Weight341.29 g/mol
Exact Mass341.09
IUPAC Namemethyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate
SMILESCOC(=O)C(O)c1ccccc1COc1cccc(C(F)(F)F)n1
InChIInChI=1S/C16H14F3NO4/c1-23-15(22)14(21)11-6-3-2-5-10(11)9-24-13-8-4-7-12(20-13)16(17,18)19/h2-8,14,21H,9H2,1H3
InChIKeyBYVRNZHDJMVRCZ-UHFFFAOYSA-N
XLogP2.89
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 135265126
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phenyl 2-methyl-3-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoate
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methyl 2-[2-[[(Z)-benzylideneamino]oxymethyl]phenyl]-2-hydroxyacetate
CID 86754441
methyl 2-[2-[(6-bromo-2-pyridinyl)oxymethyl]phenyl]acetate
CID 19366333
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
ethane;methyl 2-[hydroxy-[6-(trifluoromethyl)-2-pyridinyl]methyl]prop-2-enoate
CID 155716297
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]acetaldehyde
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methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
methyl 2-hydroxy-2-[2-(2-hydroxypropan-2-yl)phenyl]acetate
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3-bromo-N-methyl-2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]aniline;ethane;formohydrazide
CID 144784532

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate (CID 138394699) is methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate is COC(=O)C(O)c1ccccc1COc1cccc(C(F)(F)F)n1.
What is the InChIKey of methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate?
The InChIKey is BYVRNZHDJMVRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO4/c1-23-15(22)14(21)11-6-3-2-5-10(11)9-24-13-8-4-7-12(20-13)16(17,18)19/h2-8,14,21H,9H2,1H3.
What are the key properties of methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate?
methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate has a molecular weight of 341.29 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]acetate is sourced from PubChem (CID 138394699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).