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

C15H12BrFO2 — CID 79439725

IUPAC2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C15H12BrFO2/c16-13-7-3-2-6-11(13)12(15(18)19)9-10-5-1-4-8-14(10)17/h1-8,12H,9H2,(H,18,19)
InChIKeyUSSSRLGMDXBUQQ-UHFFFAOYSA-N
MW323.16 g/mol
LogP4.00
Rot. Bonds4

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

2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid (PubChem CID 79439725) has the molecular formula C15H12BrFO2 and a molecular weight of 323.16 g/mol. Its IUPAC name is 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
PubChem CID79439725
Molecular FormulaC15H12BrFO2
Molecular Weight323.16 g/mol
Exact Mass322.00
IUPAC Name2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)c1ccccc1Br
InChIInChI=1S/C15H12BrFO2/c16-13-7-3-2-6-11(13)12(15(18)19)9-10-5-1-4-8-14(10)17/h1-8,12H,9H2,(H,18,19)
InChIKeyUSSSRLGMDXBUQQ-UHFFFAOYSA-N
XLogP4.00
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-bromo-2-fluorophenyl)-2-(2-bromophenyl)propanoic acid
CID 79438919
2-(2,5-dimethylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 82139843
[1-(2-bromophenyl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105208622
2-(2-bromophenyl)-3-(2-fluorophenyl)propan-1-amine
CID 79449387
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051
2-(4-ethoxy-2-methylphenyl)-3-(2-fluorophenyl)propanoic acid
CID 83950996
2-(2-bromophenyl)-3-(4-methoxyphenyl)propanoic acid
CID 79439722
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
3-(2-bromophenyl)-2-(2,4-dimethylphenyl)propanoic acid
CID 83952778
3-(2-fluorophenyl)-2-(6-methyl-2-pyridinyl)propanoic acid
CID 113428270
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid (CID 79439725) is 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccccc1F)c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid?
The InChIKey is USSSRLGMDXBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFO2/c16-13-7-3-2-6-11(13)12(15(18)19)9-10-5-1-4-8-14(10)17/h1-8,12H,9H2,(H,18,19).
What are the key properties of 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid?
2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid has a molecular weight of 323.16 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-3-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 79439725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).