2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid

C13H17FO3 — CID 114994799

IUPAC2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(Oc1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FO3/c1-9(2)8-13(3,12(15)16)17-11-7-5-4-6-10(11)14/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyUIUGOGSAYQTKKL-UHFFFAOYSA-N
MW240.27 g/mol
LogP3.09
Rot. Bonds5

About 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid

2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid (PubChem CID 114994799) has the molecular formula C13H17FO3 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
PubChem CID114994799
Molecular FormulaC13H17FO3
Molecular Weight240.27 g/mol
Exact Mass240.12
IUPAC Name2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(Oc1ccccc1F)C(=O)O
InChIInChI=1S/C13H17FO3/c1-9(2)8-13(3,12(15)16)17-11-7-5-4-6-10(11)14/h4-7,9H,8H2,1-3H3,(H,15,16)
InChIKeyUIUGOGSAYQTKKL-UHFFFAOYSA-N
XLogP3.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid (CID 114994799) is 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid is CC(C)CC(C)(Oc1ccccc1F)C(=O)O.
What is the InChIKey of 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid?
The InChIKey is UIUGOGSAYQTKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO3/c1-9(2)8-13(3,12(15)16)17-11-7-5-4-6-10(11)14/h4-7,9H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid?
2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid has a molecular weight of 240.27 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 114994799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).