2-(3-fluorophenyl)-2-propoxyacetic acid

C11H13FO3 — CID 83224812

IUPAC2-(3-fluorophenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c1-2-6-15-10(11(13)14)8-4-3-5-9(12)7-8/h3-5,7,10H,2,6H2,1H3,(H,13,14)
InChIKeyDXGUHZPIQNJNPL-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.38
Rot. Bonds5

About 2-(3-fluorophenyl)-2-propoxyacetic acid

2-(3-fluorophenyl)-2-propoxyacetic acid (PubChem CID 83224812) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-propoxyacetic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-propoxyacetic acid
PubChem CID83224812
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(3-fluorophenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cccc(F)c1
InChIInChI=1S/C11H13FO3/c1-2-6-15-10(11(13)14)8-4-3-5-9(12)7-8/h3-5,7,10H,2,6H2,1H3,(H,13,14)
InChIKeyDXGUHZPIQNJNPL-UHFFFAOYSA-N
XLogP2.38
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-fluorophenyl)-2-propoxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-fluorophenyl)-1-propoxypropan-2-one
CID 83226536
2-ethoxy-2-(3-fluorophenyl)acetic acid
CID 68560749
2-(4-bromo-3-fluorophenyl)-2-propoxyacetic acid
CID 83224609
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
2-(3-hydroxypropoxy)-2-(3-propoxyphenyl)acetic acid
CID 103377987
2-[butyl(ethyl)amino]-2-(3-fluorophenyl)acetic acid
CID 84747268
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
1-(3-methylphenyl)-1-propoxypropan-2-one
CID 83225723
ethyl 2-diethoxyphosphoryl-2-(3-fluorophenyl)acetate
CID 19920663
2-(2,3-dichlorophenyl)-2-propoxyacetic acid
CID 83224713
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
2-[4-(2-methylpropyl)phenyl]-2-propoxyacetic acid
CID 83224518

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-propoxyacetic acid?
The IUPAC name of 2-(3-fluorophenyl)-2-propoxyacetic acid (CID 83224812) is 2-(3-fluorophenyl)-2-propoxyacetic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-2-propoxyacetic acid?
The canonical SMILES for 2-(3-fluorophenyl)-2-propoxyacetic acid is CCCOC(C(=O)O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-2-propoxyacetic acid?
The InChIKey is DXGUHZPIQNJNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-2-6-15-10(11(13)14)8-4-3-5-9(12)7-8/h3-5,7,10H,2,6H2,1H3,(H,13,14).
What are the key properties of 2-(3-fluorophenyl)-2-propoxyacetic acid?
2-(3-fluorophenyl)-2-propoxyacetic acid has a molecular weight of 212.22 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-propoxyacetic acid is sourced from PubChem (CID 83224812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).