methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate

C12H13F3O3 — CID 82646434

IUPACmethyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
SMILESCCOc1ccc(C(F)(F)F)cc1CC(=O)OC
InChIInChI=1S/C12H13F3O3/c1-3-18-10-5-4-9(12(13,14)15)6-8(10)7-11(16)17-2/h4-6H,3,7H2,1-2H3
InChIKeyXUKLBHHEXZOXSL-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.82
Rot. Bonds4

About methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate

methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate (PubChem CID 82646434) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
PubChem CID82646434
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Namemethyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
SMILESCCOc1ccc(C(F)(F)F)cc1CC(=O)OC
InChIInChI=1S/C12H13F3O3/c1-3-18-10-5-4-9(12(13,14)15)6-8(10)7-11(16)17-2/h4-6H,3,7H2,1-2H3
InChIKeyXUKLBHHEXZOXSL-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998049
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
methyl 2-[2-ethynyl-5-(trifluoromethyl)phenyl]acetate
CID 86712711
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylheptan-4-one
CID 83921192
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 83921264
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate (CID 82646434) is methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate is CCOc1ccc(C(F)(F)F)cc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate?
The InChIKey is XUKLBHHEXZOXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-3-18-10-5-4-9(12(13,14)15)6-8(10)7-11(16)17-2/h4-6H,3,7H2,1-2H3.
What are the key properties of methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate?
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate has a molecular weight of 262.23 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 82646434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).