(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid

C16H12FNO4 — CID 15118048

IUPAC(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O
InChIInChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyROBSGBGTWRRYSK-SNVBAGLBSA-N
MW301.27 g/mol
LogP3.34
Rot. Bonds5

About (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid

(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid (PubChem CID 15118048) has the molecular formula C16H12FNO4 and a molecular weight of 301.27 g/mol. Its IUPAC name is (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
PubChem CID15118048
Molecular FormulaC16H12FNO4
Molecular Weight301.27 g/mol
Exact Mass301.08
IUPAC Name(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
SMILESC[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O
InChIInChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1
InChIKeyROBSGBGTWRRYSK-SNVBAGLBSA-N
XLogP3.34
TPSA79.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid?
The IUPAC name of (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid (CID 15118048) is (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid?
The canonical SMILES for (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid is C[C@@H](Oc1ccc(Oc2ccc(C#N)cc2F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid?
The InChIKey is ROBSGBGTWRRYSK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H12FNO4/c1-10(16(19)20)21-12-3-5-13(6-4-12)22-15-7-2-11(9-18)8-14(15)17/h2-8,10H,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid?
(2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid has a molecular weight of 301.27 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid is sourced from PubChem (CID 15118048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).