2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid

C11H11F3O3 — CID 82262840

IUPAC2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
SMILESCCOc1ccc(C(F)(F)F)cc1CC(=O)O
InChIInChI=1S/C11H11F3O3/c1-2-17-9-4-3-8(11(12,13)14)5-7(9)6-10(15)16/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyBJPCBWQRIZJUQE-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.73
Rot. Bonds4

About 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid

2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 82262840) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID82262840
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Name2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
SMILESCCOc1ccc(C(F)(F)F)cc1CC(=O)O
InChIInChI=1S/C11H11F3O3/c1-2-17-9-4-3-8(11(12,13)14)5-7(9)6-10(15)16/h3-5H,2,6H2,1H3,(H,15,16)
InChIKeyBJPCBWQRIZJUQE-UHFFFAOYSA-N
XLogP2.73
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
1-bromo-3-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-2-one
CID 134616279
2-[2-ethoxy-5-(2-methylbutan-2-yl)phenyl]acetic acid
CID 4992587
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
CID 170999461
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxylic acid
CID 83921264
ethyl 2-(5-tert-butyl-2-ethoxyphenyl)acetate
CID 82553794
2-(2,5-diethoxyphenyl)acetic acid
CID 4685204
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-2-methylheptan-4-one
CID 83921192
2-but-3-enyl-1-ethoxy-4-(trifluoromethyl)benzene
CID 83921215
1-chloro-1-[2-ethoxy-4-(trifluoromethyl)phenyl]propan-2-one
CID 166640934
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid (CID 82262840) is 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid is CCOc1ccc(C(F)(F)F)cc1CC(=O)O.
What is the InChIKey of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is BJPCBWQRIZJUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-2-17-9-4-3-8(11(12,13)14)5-7(9)6-10(15)16/h3-5H,2,6H2,1H3,(H,15,16).
What are the key properties of 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid?
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 248.20 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 82262840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).