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

C12H13F3O4 — CID 170998049

IUPACmethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
SMILESCCOc1ccc(OC(F)(F)F)cc1CC(=O)OC
InChIInChI=1S/C12H13F3O4/c1-3-18-10-5-4-9(19-12(13,14)15)6-8(10)7-11(16)17-2/h4-6H,3,7H2,1-2H3
InChIKeyXMRHNVGROOIHIG-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.70
Rot. Bonds5

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

methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate (PubChem CID 170998049) has the molecular formula C12H13F3O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
PubChem CID170998049
Molecular FormulaC12H13F3O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Namemethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
SMILESCCOc1ccc(OC(F)(F)F)cc1CC(=O)OC
InChIInChI=1S/C12H13F3O4/c1-3-18-10-5-4-9(19-12(13,14)15)6-8(10)7-11(16)17-2/h4-6H,3,7H2,1-2H3
InChIKeyXMRHNVGROOIHIG-UHFFFAOYSA-N
XLogP2.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
methyl 2-[2-methoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170997187
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
methyl 2-[2-sulfanyl-5-(trifluoromethoxy)phenyl]acetate
CID 170999391
2-ethoxy-5-(trifluoromethoxy)benzoate
CID 170682099
2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
methyl 2-[2-iodo-4-(trifluoromethoxy)phenyl]acetate
CID 170998361
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954
3-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134624533
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate (CID 170998049) is methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate is CCOc1ccc(OC(F)(F)F)cc1CC(=O)OC.
What is the InChIKey of methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate?
The InChIKey is XMRHNVGROOIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O4/c1-3-18-10-5-4-9(19-12(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-(trifluoromethoxy)phenyl]acetate?
methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate has a molecular weight of 278.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170998049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).