ethyl 2-ethyl-5-(trifluoromethoxy)benzoate

C12H13F3O3 — CID 170266184

IUPACethyl 2-ethyl-5-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(OC(F)(F)F)ccc1CC
InChIInChI=1S/C12H13F3O3/c1-3-8-5-6-9(18-12(13,14)15)7-10(8)11(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyMKFQFQYVFIMKRA-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.32
Rot. Bonds4

About ethyl 2-ethyl-5-(trifluoromethoxy)benzoate

ethyl 2-ethyl-5-(trifluoromethoxy)benzoate (PubChem CID 170266184) has the molecular formula C12H13F3O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is ethyl 2-ethyl-5-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-(trifluoromethoxy)benzoate
PubChem CID170266184
Molecular FormulaC12H13F3O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Nameethyl 2-ethyl-5-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(OC(F)(F)F)ccc1CC
InChIInChI=1S/C12H13F3O3/c1-3-8-5-6-9(18-12(13,14)15)7-10(8)11(16)17-4-2/h5-7H,3-4H2,1-2H3
InChIKeyMKFQFQYVFIMKRA-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
N-(diaminomethylidene)-2-ethyl-5-(trifluoromethoxy)benzamide;methyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 18925655
ethyl 2-cyano-4-(trifluoromethoxy)benzoate
CID 134644777
ethyl 4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134628857
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
ethyl 2-oxo-6-(trifluoromethoxy)chromene-3-carboxylate
CID 10335058
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 2-ethyl-5-(trifluoromethoxy)benzoate (CID 170266184) is ethyl 2-ethyl-5-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 2-ethyl-5-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 2-ethyl-5-(trifluoromethoxy)benzoate is CCOC(=O)c1cc(OC(F)(F)F)ccc1CC.
What is the InChIKey of ethyl 2-ethyl-5-(trifluoromethoxy)benzoate?
The InChIKey is MKFQFQYVFIMKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O3/c1-3-8-5-6-9(18-12(13,14)15)7-10(8)11(16)17-4-2/h5-7H,3-4H2,1-2H3.
What are the key properties of ethyl 2-ethyl-5-(trifluoromethoxy)benzoate?
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate has a molecular weight of 262.23 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-(trifluoromethoxy)benzoate is sourced from PubChem (CID 170266184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).