3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid

C15H11Br2FO2 — CID 79438919

IUPAC3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Br)cc1F)c1ccccc1Br
InChIInChI=1S/C15H11Br2FO2/c16-10-6-5-9(14(18)8-10)7-12(15(19)20)11-3-1-2-4-13(11)17/h1-6,8,12H,7H2,(H,19,20)
InChIKeyFUPAZSUBKZFJNI-UHFFFAOYSA-N
MW402.06 g/mol
LogP4.76
Rot. Bonds4

About 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid

3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid (PubChem CID 79438919) has the molecular formula C15H11Br2FO2 and a molecular weight of 402.06 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid
PubChem CID79438919
Molecular FormulaC15H11Br2FO2
Molecular Weight402.06 g/mol
Exact Mass399.91
IUPAC Name3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Br)cc1F)c1ccccc1Br
InChIInChI=1S/C15H11Br2FO2/c16-10-6-5-9(14(18)8-10)7-12(15(19)20)11-3-1-2-4-13(11)17/h1-6,8,12H,7H2,(H,19,20)
InChIKeyFUPAZSUBKZFJNI-UHFFFAOYSA-N
XLogP4.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
CID 79439725
2-benzyl-3-(4-bromo-2-fluorophenyl)propanoic acid
CID 60793199
1-(3-bromo-2-fluorophenyl)-2-(4-bromo-2-fluorophenyl)ethanol
CID 107954007
4-(4-bromo-2-fluorophenyl)-2,3-dimethylbutanoic acid
CID 81008051
1-(4-bromo-2-fluorophenyl)-3-(2-bromophenyl)propan-2-one
CID 63410152
2-(4-bromo-2-fluorophenyl)-1-(2,5-dibromophenyl)ethanol
CID 115788510
2-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)ethanol
CID 62606952
2-bromo-3-(4-bromo-2-fluorophenyl)propanamide
CID 104513020
4-bromo-1-[3-bromo-2-(2-fluorophenyl)propyl]-2-fluorobenzene
CID 79454541
(2S)-1-(4-bromo-2-fluorophenyl)butan-2-ol
CID 94505320
3-(4-bromo-2-fluorophenyl)-2-(2-methylphenyl)propan-1-ol
CID 79418016
2-[(4-bromo-2-fluorophenyl)methylamino]-2-phenylacetic acid
CID 62110835

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid?
The IUPAC name of 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid (CID 79438919) is 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid.
What is the SMILES notation for 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid?
The canonical SMILES for 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid is O=C(O)C(Cc1ccc(Br)cc1F)c1ccccc1Br.
What is the InChIKey of 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid?
The InChIKey is FUPAZSUBKZFJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2FO2/c16-10-6-5-9(14(18)8-10)7-12(15(19)20)11-3-1-2-4-13(11)17/h1-6,8,12H,7H2,(H,19,20).
What are the key properties of 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid?
3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid has a molecular weight of 402.06 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid is sourced from PubChem (CID 79438919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).