2-ethoxy-5-(trifluoromethoxy)benzoate

C10H8F3O4- — CID 170682099

IUPAC2-ethoxy-5-(trifluoromethoxy)benzoate
SMILESCCOc1ccc(OC(F)(F)F)cc1C(=O)[O-]
InChIInChI=1S/C10H9F3O4/c1-2-16-8-4-3-6(17-10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H,14,15)/p-1
InChIKeyLEECDELZHPNBFL-UHFFFAOYSA-M
MW249.16 g/mol
LogP1.35
Rot. Bonds4

About 2-ethoxy-5-(trifluoromethoxy)benzoate

2-ethoxy-5-(trifluoromethoxy)benzoate (PubChem CID 170682099) has the molecular formula C10H8F3O4- and a molecular weight of 249.16 g/mol. Its IUPAC name is 2-ethoxy-5-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name2-ethoxy-5-(trifluoromethoxy)benzoate
PubChem CID170682099
Molecular FormulaC10H8F3O4-
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name2-ethoxy-5-(trifluoromethoxy)benzoate
SMILESCCOc1ccc(OC(F)(F)F)cc1C(=O)[O-]
InChIInChI=1S/C10H9F3O4/c1-2-16-8-4-3-6(17-10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H,14,15)/p-1
InChIKeyLEECDELZHPNBFL-UHFFFAOYSA-M
XLogP1.35
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-5-(trifluoromethoxy)benzamide
CID 170997994
3-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-1-one
CID 134624533
ethyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998059
methyl 2-[2-ethoxy-5-(trifluoromethoxy)phenyl]acetate
CID 170998049
2-octoxy-4-(trifluoromethoxy)benzoate
CID 170682079
1-[2,5-bis(trifluoromethoxy)phenyl]propan-1-one
CID 118807482
1-bromo-1-[2-ethoxy-5-(trifluoromethoxy)phenyl]propan-2-one
CID 134615762
2,4-diethoxybenzoate
CID 6951194
(E)-3-[2-ethoxy-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 170997964
(E)-1-[2,5-bis(trifluoromethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-en-1-one
CID 87841560
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954
2-ethoxy-3-(trifluoromethoxy)benzoate
CID 170681949

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(trifluoromethoxy)benzoate?
The IUPAC name of 2-ethoxy-5-(trifluoromethoxy)benzoate (CID 170682099) is 2-ethoxy-5-(trifluoromethoxy)benzoate.
What is the SMILES notation for 2-ethoxy-5-(trifluoromethoxy)benzoate?
The canonical SMILES for 2-ethoxy-5-(trifluoromethoxy)benzoate is CCOc1ccc(OC(F)(F)F)cc1C(=O)[O-].
What is the InChIKey of 2-ethoxy-5-(trifluoromethoxy)benzoate?
The InChIKey is LEECDELZHPNBFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H9F3O4/c1-2-16-8-4-3-6(17-10(11,12)13)5-7(8)9(14)15/h3-5H,2H2,1H3,(H,14,15)/p-1.
What are the key properties of 2-ethoxy-5-(trifluoromethoxy)benzoate?
2-ethoxy-5-(trifluoromethoxy)benzoate has a molecular weight of 249.16 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(trifluoromethoxy)benzoate is sourced from PubChem (CID 170682099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).