2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid

C15H11BrF2O2 — CID 79440089

IUPAC2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c16-11-6-4-9(5-7-11)12(15(19)20)8-10-2-1-3-13(17)14(10)18/h1-7,12H,8H2,(H,19,20)
InChIKeyYJSPLDRSFINNQU-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid

2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid (PubChem CID 79440089) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
PubChem CID79440089
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cccc(F)c1F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c16-11-6-4-9(5-7-11)12(15(19)20)8-10-2-1-3-13(17)14(10)18/h1-7,12H,8H2,(H,19,20)
InChIKeyYJSPLDRSFINNQU-UHFFFAOYSA-N
XLogP4.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.15
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930825
2-[(4-bromophenyl)methyl]-3-(2,3-difluorophenyl)propanoic acid
CID 60794207
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
2-(4-bromophenyl)-3-(3,5-difluorophenyl)propanoic acid
CID 105404805
3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 79440337
2-(4-bromophenyl)-3-pyrimidin-2-ylpropanoic acid
CID 79440396
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
2-[(2,3-difluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83135397
4-amino-2-[(2,3-difluorophenyl)methyl]butanoic acid
CID 104680993
3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propanoic acid
CID 79430808

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid?
The IUPAC name of 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid (CID 79440089) is 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid is O=C(O)C(Cc1cccc(F)c1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid?
The InChIKey is YJSPLDRSFINNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-11-6-4-9(5-7-11)12(15(19)20)8-10-2-1-3-13(17)14(10)18/h1-7,12H,8H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid?
2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid has a molecular weight of 341.15 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid is sourced from PubChem (CID 79440089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).