ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate

C13H15F3O3 — CID 170999189

IUPACethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC(F)(F)F)cc1CC
InChIInChI=1S/C13H15F3O3/c1-3-9-7-11(19-13(14,15)16)6-5-10(9)8-12(17)18-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyVPIIBJZZUWFFJQ-UHFFFAOYSA-N
MW276.25 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate

ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate (PubChem CID 170999189) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
PubChem CID170999189
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Nameethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
SMILESCCOC(=O)Cc1ccc(OC(F)(F)F)cc1CC
InChIInChI=1S/C13H15F3O3/c1-3-9-7-11(19-13(14,15)16)6-5-10(9)8-12(17)18-4-2/h5-7H,3-4,8H2,1-2H3
InChIKeyVPIIBJZZUWFFJQ-UHFFFAOYSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetate
CID 170909645
methyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate
CID 170999181
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 2-[5-(difluoromethoxy)-2-(trifluoromethoxy)phenyl]acetate
CID 170997918
ethyl 3-[2-bromo-5-(trifluoromethoxy)phenyl]propanoate
CID 134632420
ethyl 2-[4-[4-(trifluoromethoxy)phenyl]phenyl]acetate
CID 170432744
ethyl 3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanoate
CID 134632480
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
ethyl 3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632352
2-(chloromethyl)-1-ethyl-4-(trifluoromethoxy)benzene
CID 170998693
ethyl 2-methyl-4-(trifluoromethoxy)benzoate
CID 134541854

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate?
The IUPAC name of ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate (CID 170999189) is ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate.
What is the SMILES notation for ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate?
The canonical SMILES for ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate is CCOC(=O)Cc1ccc(OC(F)(F)F)cc1CC.
What is the InChIKey of ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate?
The InChIKey is VPIIBJZZUWFFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-3-9-7-11(19-13(14,15)16)6-5-10(9)8-12(17)18-4-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate?
ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate has a molecular weight of 276.25 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-ethyl-4-(trifluoromethoxy)phenyl]acetate is sourced from PubChem (CID 170999189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).