2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid

C9H8F3NO3 — CID 154294965

IUPAC2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
SMILESCC(Oc1cccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5(8(14)15)16-7-4-2-3-6(13-7)9(10,11)12/h2-5H,1H3,(H,14,15)
InChIKeyRDEQGVAMUGEVSL-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.95
Rot. Bonds3

About 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid

2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid (PubChem CID 154294965) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid.

Molecular Properties

Compound Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
PubChem CID154294965
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid
SMILESCC(Oc1cccc(C(F)(F)F)n1)C(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5(8(14)15)16-7-4-2-3-6(13-7)9(10,11)12/h2-5H,1H3,(H,14,15)
InChIKeyRDEQGVAMUGEVSL-UHFFFAOYSA-N
XLogP1.95
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
The IUPAC name of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid (CID 154294965) is 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid.
What is the SMILES notation for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
The canonical SMILES for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid is CC(Oc1cccc(C(F)(F)F)n1)C(=O)O.
What is the InChIKey of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
The InChIKey is RDEQGVAMUGEVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5(8(14)15)16-7-4-2-3-6(13-7)9(10,11)12/h2-5H,1H3,(H,14,15).
What are the key properties of 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid?
2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid has a molecular weight of 235.16 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]propanoic acid is sourced from PubChem (CID 154294965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).