2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid

C15H11Cl2FO2 — CID 67459388

IUPAC2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-5-6-10(13(18)7-9)11-3-2-4-12(16)14(11)17/h2-8H,1H3,(H,19,20)
InChIKeyPCZWPQGRSHSCIH-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.99
Rot. Bonds3

About 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid

2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid (PubChem CID 67459388) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid
PubChem CID67459388
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cccc(Cl)c2Cl)c(F)c1
InChIInChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-5-6-10(13(18)7-9)11-3-2-4-12(16)14(11)17/h2-8H,1H3,(H,19,20)
InChIKeyPCZWPQGRSHSCIH-UHFFFAOYSA-N
XLogP4.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid (CID 67459388) is 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2cccc(Cl)c2Cl)c(F)c1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid?
The InChIKey is PCZWPQGRSHSCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c1-8(15(19)20)9-5-6-10(13(18)7-9)11-3-2-4-12(16)14(11)17/h2-8H,1H3,(H,19,20).
What are the key properties of 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid?
2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid has a molecular weight of 313.16 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)-3-fluorophenyl]propanoic acid is sourced from PubChem (CID 67459388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).