5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid

C11H11F3O4 — CID 23035342

IUPAC5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
SMILESCCOc1ccc(OCC(F)(F)F)c(C(=O)O)c1
InChIInChI=1S/C11H11F3O4/c1-2-17-7-3-4-9(8(5-7)10(15)16)18-6-11(12,13)14/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyFOKINSCKSDHWTA-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.72
Rot. Bonds5

About 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid

5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid (PubChem CID 23035342) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid.

Molecular Properties

Compound Name5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
PubChem CID23035342
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
SMILESCCOc1ccc(OCC(F)(F)F)c(C(=O)O)c1
InChIInChI=1S/C11H11F3O4/c1-2-17-7-3-4-9(8(5-7)10(15)16)18-6-11(12,13)14/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyFOKINSCKSDHWTA-UHFFFAOYSA-N
XLogP2.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-prop-2-enoxy-5-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035279
2,5-bis(2,2,2-tribromoethoxy)benzoic acid
CID 23054238
1-[5-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 166624623
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-2-chloroethanone
CID 12050208
2-ethoxy-5-propan-2-yloxybenzoic acid
CID 152600647
methane;N-propan-2-yl-2,5-bis(2,2,2-trifluoroethoxy)benzamide
CID 158681446
2,2,2-trifluoroethyl 2-(2,2-difluoropropoxy)-5-(2,2,2-trifluoroethoxy)benzoate
CID 143388362
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
1-(2-bromo-4-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206758
5-ethoxy-N-(piperidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)benzamide
CID 15055940
benzyl 2,5-bis(2,2,2-trifluoroethoxy)benzoate
CID 23390398

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
The IUPAC name of 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid (CID 23035342) is 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid.
What is the SMILES notation for 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
The canonical SMILES for 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid is CCOc1ccc(OCC(F)(F)F)c(C(=O)O)c1.
What is the InChIKey of 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
The InChIKey is FOKINSCKSDHWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-2-17-7-3-4-9(8(5-7)10(15)16)18-6-11(12,13)14/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid?
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid is sourced from PubChem (CID 23035342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).