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

C11H12BrFO2 — CID 117439532

IUPAC2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
SMILESCCc1cc(Br)c(F)c(C(C)C(=O)O)c1
InChIInChI=1S/C11H12BrFO2/c1-3-7-4-8(6(2)11(14)15)10(13)9(12)5-7/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyDODFQQGVJPKULE-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.34
Rot. Bonds3

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

2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid (PubChem CID 117439532) has the molecular formula C11H12BrFO2 and a molecular weight of 275.12 g/mol. Its IUPAC name is 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
PubChem CID117439532
Molecular FormulaC11H12BrFO2
Molecular Weight275.12 g/mol
Exact Mass274.00
IUPAC Name2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
SMILESCCc1cc(Br)c(F)c(C(C)C(=O)O)c1
InChIInChI=1S/C11H12BrFO2/c1-3-7-4-8(6(2)11(14)15)10(13)9(12)5-7/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyDODFQQGVJPKULE-UHFFFAOYSA-N
XLogP3.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-5-ethyl-4-fluorophenyl)-2-methylpropanoic acid
CID 117466920
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
2-(5-bromo-2,3-difluorophenyl)propanoic acid
CID 84807513
3-(3-bromo-4-fluoro-5-propan-2-ylphenyl)propanoic acid
CID 117466931
2-[2-bromo-4-(hydroxymethyl)phenyl]propanoic acid
CID 84806104
2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
CID 117471361
3-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]propanoic acid
CID 117491138
2-amino-1-(3-bromo-5-ethyl-2-fluorophenyl)ethanone
CID 117403867
2-amino-2-(5-ethyl-2,3-difluorophenyl)acetic acid
CID 117306246
(3-bromo-5-ethyl-2-fluorophenyl)boronic acid
CID 134715481
3-(3-bromo-4-fluoro-5-methylphenyl)-2-methylpropanoic acid
CID 84714116
2-(3-chloro-5-ethyl-2-methoxyphenyl)propanoic acid
CID 83899438

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid (CID 117439532) is 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid is CCc1cc(Br)c(F)c(C(C)C(=O)O)c1.
What is the InChIKey of 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid?
The InChIKey is DODFQQGVJPKULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFO2/c1-3-7-4-8(6(2)11(14)15)10(13)9(12)5-7/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid?
2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid has a molecular weight of 275.12 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid is sourced from PubChem (CID 117439532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).