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

C15H11Cl2FO2 — CID 79439713

IUPAC3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H11Cl2FO2/c16-12-6-5-9(8-13(12)17)7-11(15(19)20)10-3-1-2-4-14(10)18/h1-6,8,11H,7H2,(H,19,20)
InChIKeyYIKSBTDFMJEOKS-UHFFFAOYSA-N
MW313.16 g/mol
LogP4.54
Rot. Bonds4

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

3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid (PubChem CID 79439713) has the molecular formula C15H11Cl2FO2 and a molecular weight of 313.16 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
PubChem CID79439713
Molecular FormulaC15H11Cl2FO2
Molecular Weight313.16 g/mol
Exact Mass312.01
IUPAC Name3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H11Cl2FO2/c16-12-6-5-9(8-13(12)17)7-11(15(19)20)10-3-1-2-4-14(10)18/h1-6,8,11H,7H2,(H,19,20)
InChIKeyYIKSBTDFMJEOKS-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propanoic acid
CID 103038733
2-(2-fluorophenyl)-3-(4-iodophenyl)propanoic acid
CID 79439245
2-(2-fluorophenyl)-3-(5-fluoro-3-pyridinyl)propanoic acid
CID 114084589
4-[2-bromo-2-(2-fluorophenyl)ethyl]-1,2-dichlorobenzene
CID 55225048
2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
2-[(3,4-dichlorophenyl)methyl]propanedioic acid
CID 69044923
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanenitrile
CID 82140040
3-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)propanoic acid
CID 79439325
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
2-(2-fluorophenyl)butanedioic acid
CID 50990542
4-amino-2-(2-fluorophenyl)butanoic acid
CID 82158228
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid?
The IUPAC name of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid (CID 79439713) is 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F.
What is the InChIKey of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid?
The InChIKey is YIKSBTDFMJEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO2/c16-12-6-5-9(8-13(12)17)7-11(15(19)20)10-3-1-2-4-14(10)18/h1-6,8,11H,7H2,(H,19,20).
What are the key properties of 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid?
3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid has a molecular weight of 313.16 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-2-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 79439713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).