ethyl 2-methyl-4-(trifluoromethoxy)benzoate

C11H11F3O3 — CID 134541854

IUPACethyl 2-methyl-4-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C11H11F3O3/c1-3-16-10(15)9-5-4-8(6-7(9)2)17-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyVHJYZQTZPLHYON-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.07
Rot. Bonds3

About ethyl 2-methyl-4-(trifluoromethoxy)benzoate

ethyl 2-methyl-4-(trifluoromethoxy)benzoate (PubChem CID 134541854) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-methyl-4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-methyl-4-(trifluoromethoxy)benzoate
PubChem CID134541854
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Nameethyl 2-methyl-4-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C11H11F3O3/c1-3-16-10(15)9-5-4-8(6-7(9)2)17-11(12,13)14/h4-6H,3H2,1-2H3
InChIKeyVHJYZQTZPLHYON-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 2-cyano-4-(trifluoromethoxy)benzoate
CID 134644777
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
ethyl 4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134628857
2-methyl-4-(trifluoromethoxy)benzoyl chloride;thionyl dichloride
CID 159105640
ethyl 2-(trifluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]benzoate
CID 134632735
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
ethyl 2-oxo-6-(trifluoromethoxy)chromene-3-carboxylate
CID 10335058
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999189
ethyl 5-(2-chloro-1,1,2-trifluoroethoxy)-2-methylbenzoate
CID 59543266
ethyl 4-ethylsulfanyl-2-methylbenzoate
CID 91876396
ethyl 2-amino-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 171028932

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-4-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 2-methyl-4-(trifluoromethoxy)benzoate (CID 134541854) is ethyl 2-methyl-4-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 2-methyl-4-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 2-methyl-4-(trifluoromethoxy)benzoate is CCOC(=O)c1ccc(OC(F)(F)F)cc1C.
What is the InChIKey of ethyl 2-methyl-4-(trifluoromethoxy)benzoate?
The InChIKey is VHJYZQTZPLHYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-3-16-10(15)9-5-4-8(6-7(9)2)17-11(12,13)14/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-methyl-4-(trifluoromethoxy)benzoate?
ethyl 2-methyl-4-(trifluoromethoxy)benzoate has a molecular weight of 248.20 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 134541854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).