2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid

C13H13F3O3 — CID 117245508

IUPAC2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)9-2-1-3-10(6-9)19-7-11(12(17)18)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,17,18)
InChIKeyRUUZOHIBUFAJJS-UHFFFAOYSA-N
MW274.24 g/mol
LogP3.19
Rot. Bonds5

About 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid

2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid (PubChem CID 117245508) has the molecular formula C13H13F3O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
PubChem CID117245508
Molecular FormulaC13H13F3O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
SMILESO=C(O)C(COc1cccc(C(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H13F3O3/c14-13(15,16)9-2-1-3-10(6-9)19-7-11(12(17)18)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,17,18)
InChIKeyRUUZOHIBUFAJJS-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117246043
2-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenoxy]propanoic acid
CID 117238349
2-cyclopropyl-3-[4-[3-[3-(trifluoromethyl)phenoxy]propoxy]phenyl]propanoic acid;ethane
CID 142194055
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
4-hydroxy-2-[[3-(trifluoromethyl)phenoxy]methyl]butanoic acid
CID 117237021
3-(3-hydroxyphenoxy)-2-piperidin-4-ylpropanoic acid
CID 117239763
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
3-(3-methoxyphenoxy)-2-(thiolan-3-yl)propanoic acid
CID 117238346
methyl 2-bromo-3-[3-(trifluoromethyl)phenoxy]propanoate
CID 81092547
5-[[3-(trifluoromethyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62298692
2-cyclopropyl-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 82085380
2-[3-(trifluoromethyl)phenoxy]acetamide
CID 18954833

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The IUPAC name of 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid (CID 117245508) is 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid is O=C(O)C(COc1cccc(C(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
The InChIKey is RUUZOHIBUFAJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3O3/c14-13(15,16)9-2-1-3-10(6-9)19-7-11(12(17)18)8-4-5-8/h1-3,6,8,11H,4-5,7H2,(H,17,18).
What are the key properties of 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid?
2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid has a molecular weight of 274.24 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(trifluoromethyl)phenoxy]propanoic acid is sourced from PubChem (CID 117245508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).