2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid

C12H13FO3 — CID 117245498

IUPAC2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
SMILESO=C(O)C(COc1ccccc1F)C1CC1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-4-11(10)16-7-9(12(14)15)8-5-6-8/h1-4,8-9H,5-7H2,(H,14,15)
InChIKeyMINGOYPBXWNLIU-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.32
Rot. Bonds5

About 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid

2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid (PubChem CID 117245498) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
PubChem CID117245498
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid
SMILESO=C(O)C(COc1ccccc1F)C1CC1
InChIInChI=1S/C12H13FO3/c13-10-3-1-2-4-11(10)16-7-9(12(14)15)8-5-6-8/h1-4,8-9H,5-7H2,(H,14,15)
InChIKeyMINGOYPBXWNLIU-UHFFFAOYSA-N
XLogP2.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-3-(2-fluorophenoxy)propanoic 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

2-(1,1-dioxothiolan-3-yl)-3-(2-fluorophenoxy)propanoic acid
CID 117238250
2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
CID 117245713
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
2-(2-fluorophenoxy)-1-(thiolan-3-yl)ethanol
CID 117237264
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
CID 117239668
2-(2-fluorophenoxy)-1-(oxan-4-yl)ethanamine
CID 117238680
1-cyclopropyl-2-(2-fluorophenoxy)ethanone
CID 63913814
N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
3-(2-fluorophenoxy)-2-(4-methylphenyl)propanoic acid
CID 117245170
2-(cyclopropylmethylamino)-N-[2-(2-fluorophenoxy)-1-phenylethyl]acetamide
CID 119735715
1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
2-(2-fluorophenoxy)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238738

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid?
The IUPAC name of 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid (CID 117245498) is 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid?
The canonical SMILES for 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid is O=C(O)C(COc1ccccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid?
The InChIKey is MINGOYPBXWNLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-10-3-1-2-4-11(10)16-7-9(12(14)15)8-5-6-8/h1-4,8-9H,5-7H2,(H,14,15).
What are the key properties of 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid?
2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid has a molecular weight of 224.23 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2-fluorophenoxy)propanoic acid is sourced from PubChem (CID 117245498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).