2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid

C24H19F3O4 — CID 118951724

IUPAC2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(Oc4ccc(F)cc4)cc(F)c3F)cc2)C1
InChIInChI=1S/C24H19F3O4/c25-17-5-7-18(8-6-17)31-20-11-21(24(27)22(26)12-20)15-3-1-14(2-4-15)16-9-19(10-16)30-13-23(28)29/h1-8,11-12,16,19H,9-10,13H2,(H,28,29)
InChIKeyWDESOPDWVCGZBA-UHFFFAOYSA-N
MW428.41 g/mol
LogP5.91
Rot. Bonds7

About 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid

2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid (PubChem CID 118951724) has the molecular formula C24H19F3O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
PubChem CID118951724
Molecular FormulaC24H19F3O4
Molecular Weight428.41 g/mol
Exact Mass428.12
IUPAC Name2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid
SMILESO=C(O)COC1CC(c2ccc(-c3cc(Oc4ccc(F)cc4)cc(F)c3F)cc2)C1
InChIInChI=1S/C24H19F3O4/c25-17-5-7-18(8-6-17)31-20-11-21(24(27)22(26)12-20)15-3-1-14(2-4-15)16-9-19(10-16)30-13-23(28)29/h1-8,11-12,16,19H,9-10,13H2,(H,28,29)
InChIKeyWDESOPDWVCGZBA-UHFFFAOYSA-N
XLogP5.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.41
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The IUPAC name of 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid (CID 118951724) is 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid.
What is the SMILES notation for 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The canonical SMILES for 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid is O=C(O)COC1CC(c2ccc(-c3cc(Oc4ccc(F)cc4)cc(F)c3F)cc2)C1.
What is the InChIKey of 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
The InChIKey is WDESOPDWVCGZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O4/c25-17-5-7-18(8-6-17)31-20-11-21(24(27)22(26)12-20)15-3-1-14(2-4-15)16-9-19(10-16)30-13-23(28)29/h1-8,11-12,16,19H,9-10,13H2,(H,28,29).
What are the key properties of 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid?
2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid has a molecular weight of 428.41 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2,3-difluoro-5-(4-fluorophenoxy)phenyl]phenyl]cyclobutyl]oxyacetic acid is sourced from PubChem (CID 118951724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).