methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate

C12H9F3O4 — CID 115072049

IUPACmethyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate
SMILESCOC(=O)C(O)c1cc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C12H9F3O4/c1-18-11(17)10(16)9-5-6-4-7(12(13,14)15)2-3-8(6)19-9/h2-5,10,16H,1H3
InChIKeyMIWMNUGFWFYBKI-UHFFFAOYSA-N
MW274.19 g/mol
LogP2.66
Rot. Bonds2

About methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate

methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate (PubChem CID 115072049) has the molecular formula C12H9F3O4 and a molecular weight of 274.19 g/mol. Its IUPAC name is methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate
PubChem CID115072049
Molecular FormulaC12H9F3O4
Molecular Weight274.19 g/mol
Exact Mass274.05
IUPAC Namemethyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate
SMILESCOC(=O)C(O)c1cc2cc(C(F)(F)F)ccc2o1
InChIInChI=1S/C12H9F3O4/c1-18-11(17)10(16)9-5-6-4-7(12(13,14)15)2-3-8(6)19-9/h2-5,10,16H,1H3
InChIKeyMIWMNUGFWFYBKI-UHFFFAOYSA-N
XLogP2.66
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117424988
2-methyl-N-[(1R)-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]ethyl]propane-2-sulfinamide
CID 135377990
(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetic acid;methyl 2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetate
CID 160817658
methyl 2-amino-3-methyl-3-[3-(trifluoromethyl)phenyl]butanoate
CID 115050962
1-[5-[4-(trifluoromethyl)phenyl]-1-benzofuran-2-yl]ethanone
CID 23005288
methyl 3-[2-fluoro-4-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171864579
methyl 2-amino-2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]acetate
CID 115072109
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
CID 117195061
methyl 3-[2-bromo-5-(trifluoromethyl)phenyl]-2,3-dihydroxypropanoate
CID 171865308
methyl 2-[3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyacetate
CID 117108717
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 9194058
methyl 3-amino-2-[2-fluoro-5-(trifluoromethyl)anilino]propanoate
CID 114242293

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate?
The IUPAC name of methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate (CID 115072049) is methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate.
What is the SMILES notation for methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate?
The canonical SMILES for methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate is COC(=O)C(O)c1cc2cc(C(F)(F)F)ccc2o1.
What is the InChIKey of methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate?
The InChIKey is MIWMNUGFWFYBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3O4/c1-18-11(17)10(16)9-5-6-4-7(12(13,14)15)2-3-8(6)19-9/h2-5,10,16H,1H3.
What are the key properties of methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate?
methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate has a molecular weight of 274.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-[5-(trifluoromethyl)-1-benzofuran-2-yl]acetate is sourced from PubChem (CID 115072049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).