2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid

C15H11BrF2O2 — CID 114930825

IUPAC2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c16-10-6-4-9(5-7-10)11(15(19)20)8-12-13(17)2-1-3-14(12)18/h1-7,11H,8H2,(H,19,20)
InChIKeySBGDWKMIZWAZFT-UHFFFAOYSA-N
MW341.15 g/mol
LogP4.14
Rot. Bonds4

About 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid

2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid (PubChem CID 114930825) has the molecular formula C15H11BrF2O2 and a molecular weight of 341.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
PubChem CID114930825
Molecular FormulaC15H11BrF2O2
Molecular Weight341.15 g/mol
Exact Mass339.99
IUPAC Name2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1c(F)cccc1F)c1ccc(Br)cc1
InChIInChI=1S/C15H11BrF2O2/c16-10-6-4-9(5-7-10)11(15(19)20)8-12-13(17)2-1-3-14(12)18/h1-7,11H,8H2,(H,19,20)
InChIKeySBGDWKMIZWAZFT-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-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
CID 79440089
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-(4-bromophenyl)-3-(3,5-difluorophenyl)propanoic acid
CID 105404805
2-(4-bromophenyl)-3-pyrimidin-2-ylpropanoic acid
CID 79440396
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
1-(4-bromophenyl)-3-(2,6-difluorophenyl)propan-2-ol
CID 114931469
3-(2-chloro-3-fluorophenyl)-2-(4-fluorophenyl)propanoic acid
CID 115983260
3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 79440337
2-(4-bromophenyl)pent-4-ynoic acid
CID 79440084
3-[4-(4-bromophenoxy)phenyl]-2-phenylpropanoic acid
CID 20984736
2-(4-bromophenyl)-5-chloro-4-oxopentanoic acid
CID 123918918

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid?
The IUPAC name of 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid (CID 114930825) is 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid.
What is the SMILES notation for 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid?
The canonical SMILES for 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid is O=C(O)C(Cc1c(F)cccc1F)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid?
The InChIKey is SBGDWKMIZWAZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF2O2/c16-10-6-4-9(5-7-10)11(15(19)20)8-12-13(17)2-1-3-14(12)18/h1-7,11H,8H2,(H,19,20).
What are the key properties of 2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid?
2-(4-bromophenyl)-3-(2,6-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-(2,6-difluorophenyl)propanoic acid is sourced from PubChem (CID 114930825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).