4-(2-chloro-6-fluorophenoxy)butanoic acid

C10H10ClFO3 — CID 83051076

IUPAC4-(2-chloro-6-fluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1c(F)cccc1Cl
InChIInChI=1S/C10H10ClFO3/c11-7-3-1-4-8(12)10(7)15-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyJUMRNQRYLWWOFJ-UHFFFAOYSA-N
MW232.64 g/mol
LogP2.72
Rot. Bonds5

About 4-(2-chloro-6-fluorophenoxy)butanoic acid

4-(2-chloro-6-fluorophenoxy)butanoic acid (PubChem CID 83051076) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenoxy)butanoic acid.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenoxy)butanoic acid
PubChem CID83051076
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name4-(2-chloro-6-fluorophenoxy)butanoic acid
SMILESO=C(O)CCCOc1c(F)cccc1Cl
InChIInChI=1S/C10H10ClFO3/c11-7-3-1-4-8(12)10(7)15-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14)
InChIKeyJUMRNQRYLWWOFJ-UHFFFAOYSA-N
XLogP2.72
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-chloro-6-fluorophenoxy)butanoic 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

6-(2,6-difluorophenoxy)hexanoic acid
CID 81269433
6-(2-chloro-6-fluorophenoxy)hexan-2-one
CID 83051301
4-(2-chloro-6-fluorophenoxy)butanethioamide
CID 83051397
3-(2-chloro-6-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 83050986
3-(2-chloro-6-fluorophenoxy)propanethioamide
CID 83051817
2-(2-chloro-6-fluorophenoxy)ethanethiol
CID 83053804
6-(2-chloro-6-fluorophenoxy)hexane-1-thiol
CID 83052361
2-[(2-chloro-6-fluorophenoxy)methyl]prop-2-enoic acid
CID 83050552
2-(2-chloro-6-fluorophenoxy)-1-phenylethanone
CID 83051091
6-(2-chloro-6-fluorophenyl)-6-oxohexanoic acid
CID 24727139
5-(2-chloro-6-fluorophenoxy)pentane-1-sulfonyl chloride
CID 83053085
4-(4-chloronaphthalen-1-yl)oxybutanoic acid
CID 43351513

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenoxy)butanoic acid?
The IUPAC name of 4-(2-chloro-6-fluorophenoxy)butanoic acid (CID 83051076) is 4-(2-chloro-6-fluorophenoxy)butanoic acid.
What is the SMILES notation for 4-(2-chloro-6-fluorophenoxy)butanoic acid?
The canonical SMILES for 4-(2-chloro-6-fluorophenoxy)butanoic acid is O=C(O)CCCOc1c(F)cccc1Cl.
What is the InChIKey of 4-(2-chloro-6-fluorophenoxy)butanoic acid?
The InChIKey is JUMRNQRYLWWOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO3/c11-7-3-1-4-8(12)10(7)15-6-2-5-9(13)14/h1,3-4H,2,5-6H2,(H,13,14).
What are the key properties of 4-(2-chloro-6-fluorophenoxy)butanoic acid?
4-(2-chloro-6-fluorophenoxy)butanoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenoxy)butanoic acid is sourced from PubChem (CID 83051076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).