2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid

C10H9F3O3 — CID 69381817

IUPAC2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-3-1-7(2-4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChIKeySXWYDCAACSVYPS-UHFFFAOYSA-N
MW234.17 g/mol
LogP2.31
Rot. Bonds4

About 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid

2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid (PubChem CID 69381817) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
PubChem CID69381817
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid
SMILESO=C(O)COCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-3-1-7(2-4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChIKeySXWYDCAACSVYPS-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanone
CID 53254076
2-[[4-(hydroxymethyl)phenyl]methoxy]acetic acid
CID 96559713
sodium;hydride;2-phenylmethoxyacetic acid
CID 174345523
5-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 90325815
3-[4-[[4-(trifluoromethyl)phenyl]methoxy]phenoxy]propanoic acid
CID 146593712
4-[[4-(trifluoromethyl)phenyl]methoxy]benzoic acid
CID 43214876
1-[2-chloro-4-(trifluoromethyl)phenyl]-2-phenylmethoxyethanone
CID 146009826
[4-(trifluoromethyl)phenyl]methyl 2-cyanoacetate
CID 86235887
2-[2-(4-ethylphenyl)-2,2-difluoroethoxy]acetic acid
CID 61328203
3-oxo-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 53443936
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
2-hydroxy-2-(phenylmethoxymethyl)-3-[4-(trifluoromethyl)phenyl]propanal
CID 170120976

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid (CID 69381817) is 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid is O=C(O)COCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid?
The InChIKey is SXWYDCAACSVYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)8-3-1-7(2-4-8)5-16-6-9(14)15/h1-4H,5-6H2,(H,14,15).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid?
2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid has a molecular weight of 234.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methoxy]acetic acid is sourced from PubChem (CID 69381817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).