2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid

C11H11F3O4 — CID 141051034

IUPAC2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C11H11F3O4/c1-10(2,9(15)16)17-7-3-5-8(6-4-7)18-11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKeyTZWISLOQIALQAU-UHFFFAOYSA-N
MW264.20 g/mol
LogP2.83
Rot. Bonds4

About 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid

2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid (PubChem CID 141051034) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
PubChem CID141051034
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(OC(F)(F)F)cc1)C(=O)O
InChIInChI=1S/C11H11F3O4/c1-10(2,9(15)16)17-7-3-5-8(6-4-7)18-11(12,13)14/h3-6H,1-2H3,(H,15,16)
InChIKeyTZWISLOQIALQAU-UHFFFAOYSA-N
XLogP2.83
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(1,1-difluoroethyl)phenoxy]-2-methylpropanoic acid
CID 143921045
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
CID 131878857
CID 131878857
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide
CID 59614232
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509
2-[4-(2-chloroethoxy)phenoxy]-2-methylpropanoic acid
CID 22041503
2-[3-[2,3-dimethyl-6-(trifluoromethoxy)indol-1-yl]phenoxy]-2-methylpropanoic acid
CID 142868615
2-[4-[(1R,2R)-2-chlorocyclopropyl]phenoxy]-2-methylpropanoic acid
CID 90662262
[4-(trifluoromethoxy)phenyl] N-aminocarbamate
CID 143175748
3-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-one
CID 59159515
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid (CID 141051034) is 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid is CC(C)(Oc1ccc(OC(F)(F)F)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
The InChIKey is TZWISLOQIALQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c1-10(2,9(15)16)17-7-3-5-8(6-4-7)18-11(12,13)14/h3-6H,1-2H3,(H,15,16).
What are the key properties of 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid?
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid has a molecular weight of 264.20 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid is sourced from PubChem (CID 141051034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).