2-[4-(trifluoromethyl)phenoxy]propanoic acid

C10H9F3O3 — CID 3753656

IUPAC2-[4-(trifluoromethyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C10H9F3O3/c1-6(9(14)15)16-8-4-2-7(3-5-8)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKeyZZCGVEYHZSLNKD-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.56
Rot. Bonds3

About 2-[4-(trifluoromethyl)phenoxy]propanoic acid

2-[4-(trifluoromethyl)phenoxy]propanoic acid (PubChem CID 3753656) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenoxy]propanoic acid
PubChem CID3753656
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[4-(trifluoromethyl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(C(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C10H9F3O3/c1-6(9(14)15)16-8-4-2-7(3-5-8)10(11,12)13/h2-6H,1H3,(H,14,15)
InChIKeyZZCGVEYHZSLNKD-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-(trifluoromethyl)phenoxy]propanoic acid (CID 3753656) is 2-[4-(trifluoromethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)phenoxy]propanoic acid is CC(Oc1ccc(C(F)(F)F)cc1)C(=O)O.
What is the InChIKey of 2-[4-(trifluoromethyl)phenoxy]propanoic acid?
The InChIKey is ZZCGVEYHZSLNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c1-6(9(14)15)16-8-4-2-7(3-5-8)10(11,12)13/h2-6H,1H3,(H,14,15).
What are the key properties of 2-[4-(trifluoromethyl)phenoxy]propanoic acid?
2-[4-(trifluoromethyl)phenoxy]propanoic acid has a molecular weight of 234.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenoxy]propanoic acid is sourced from PubChem (CID 3753656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).