3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid

C15H11BrClFO2 — CID 79440337

IUPAC3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H11BrClFO2/c16-11-4-5-14(18)10(6-11)8-13(15(19)20)9-2-1-3-12(17)7-9/h1-7,13H,8H2,(H,19,20)
InChIKeyYAOYQKXCHBHCGX-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.65
Rot. Bonds4

About 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid

3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid (PubChem CID 79440337) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
PubChem CID79440337
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
SMILESO=C(O)C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1
InChIInChI=1S/C15H11BrClFO2/c16-11-4-5-14(18)10(6-11)8-13(15(19)20)9-2-1-3-12(17)7-9/h1-7,13H,8H2,(H,19,20)
InChIKeyYAOYQKXCHBHCGX-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propanoic acid
CID 115983264
2-(3-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930828
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)propanoic acid
CID 79440338
2-(5-bromo-2-fluorophenyl)-1-(3-chlorophenyl)ethanone
CID 55186206
2-(4-bromophenyl)-3-(2,3-difluorophenyl)propanoic acid
CID 79440089
2-(3-chlorophenyl)-5-methylhex-4-enoic acid
CID 79440640
4-bromo-2-[2-(3-bromophenyl)-3-chloropropyl]-1-fluorobenzene
CID 79431234
(2S)-2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
CID 1483970
4-amino-1-(5-bromo-2-fluorophenyl)-3-phenylbutan-2-one
CID 116567136
4-bromo-2-[(2-chloro-3-fluorophenyl)methylsulfanyl]benzoic acid
CID 115982651
2-(4-bromophenyl)-3-(2,6-difluorophenyl)propanoic acid
CID 114930825
3-(5-chloro-2-fluorophenyl)-2-hydroxypropanoic acid
CID 83441782

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid (CID 79440337) is 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid is O=C(O)C(Cc1cc(Br)ccc1F)c1cccc(Cl)c1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
The InChIKey is YAOYQKXCHBHCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c16-11-4-5-14(18)10(6-11)8-13(15(19)20)9-2-1-3-12(17)7-9/h1-7,13H,8H2,(H,19,20).
What are the key properties of 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid?
3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid has a molecular weight of 357.61 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-2-(3-chlorophenyl)propanoic acid is sourced from PubChem (CID 79440337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).