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

C17H15F3O4 — CID 70356908

IUPAC2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O
InChIInChI=1S/C17H15F3O4/c1-16(2,15(21)22)24-14-9-7-13(8-10-14)23-12-5-3-11(4-6-12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyDTZSTWAIEJGJHP-UHFFFAOYSA-N
MW340.30 g/mol
LogP4.74
Rot. Bonds5

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

2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (PubChem CID 70356908) has the molecular formula C17H15F3O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
PubChem CID70356908
Molecular FormulaC17H15F3O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
SMILESCC(C)(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O
InChIInChI=1S/C17H15F3O4/c1-16(2,15(21)22)24-14-9-7-13(8-10-14)23-12-5-3-11(4-6-12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyDTZSTWAIEJGJHP-UHFFFAOYSA-N
XLogP4.74
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 54.74
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
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
propan-2-yl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594149
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
2-methyl-2-[4-[[3-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-6-yl]oxy]phenoxy]propanoic acid
CID 68619060
2-methyl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoic acid
CID 22687485
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 154164722
1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
CID 131878857
CID 131878857
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
2-methyl-2-(4-pyridin-4-ylphenoxy)propanoic acid
CID 117051509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid (CID 70356908) is 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is CC(C)(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
The InChIKey is DTZSTWAIEJGJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O4/c1-16(2,15(21)22)24-14-9-7-13(8-10-14)23-12-5-3-11(4-6-12)17(18,19)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid?
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid has a molecular weight of 340.30 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid is sourced from PubChem (CID 70356908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).