2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid

C11H11F3O4 — CID 69123434

IUPAC2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
SMILESCC(COC(F)(F)F)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H11F3O4/c1-10(9(15)16,7-17-11(12,13)14)18-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyHQDAUYAGNVJFIA-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.45
Rot. Bonds5

About 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid

2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid (PubChem CID 69123434) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid.

Molecular Properties

Compound Name2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
PubChem CID69123434
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid
SMILESCC(COC(F)(F)F)(Oc1ccccc1)C(=O)O
InChIInChI=1S/C11H11F3O4/c1-10(9(15)16,7-17-11(12,13)14)18-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)
InChIKeyHQDAUYAGNVJFIA-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid?
The IUPAC name of 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid (CID 69123434) is 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid.
What is the SMILES notation for 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid?
The canonical SMILES for 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid is CC(COC(F)(F)F)(Oc1ccccc1)C(=O)O.
What is the InChIKey of 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid?
The InChIKey is HQDAUYAGNVJFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-10(9(15)16,7-17-11(12,13)14)18-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16).
What are the key properties of 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid?
2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenoxy-3-(trifluoromethoxy)propanoic acid is sourced from PubChem (CID 69123434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).