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

C9H8BrFO2 — CID 83723745

IUPAC2-(3-bromo-2-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(Br)c1F
InChIInChI=1S/C9H8BrFO2/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5H,1H3,(H,12,13)
InChIKeyLQTCWMJGZSGOGG-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.78
Rot. Bonds2

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

2-(3-bromo-2-fluorophenyl)propanoic acid (PubChem CID 83723745) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-(3-bromo-2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name2-(3-bromo-2-fluorophenyl)propanoic acid
PubChem CID83723745
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-(3-bromo-2-fluorophenyl)propanoic acid
SMILESCC(C(=O)O)c1cccc(Br)c1F
InChIInChI=1S/C9H8BrFO2/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5H,1H3,(H,12,13)
InChIKeyLQTCWMJGZSGOGG-UHFFFAOYSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-2-fluorophenyl)butan-2-one
CID 117046957
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
2-[(2-bromophenyl)-hydroxymethyl]-3-methylbutanoic acid
CID 62398436
1-bromo-3-(3-chlorobutan-2-yl)-2-fluorobenzene
CID 106646503
2-(3-bromo-5-ethyl-2-fluorophenyl)propanoic acid
CID 117439532
methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
CID 106644466
(3-bromo-2-fluorophenyl)-(2-fluoro-3-methylphenyl)methanol
CID 106648481
2-(4-bromo-1-benzofuran-3-yl)propanoic acid
CID 117119174
(2R)-2-[(3-bromo-2-fluorobenzoyl)amino]propanoic acid
CID 107949095
2-(2-propan-2-ylphenyl)propanoic acid
CID 66999361
ethyl 2-(3-bromo-2-fluorophenyl)butanoate
CID 106646487
3,5-bis(2-bromophenyl)-2,6-dimethylheptan-4-one
CID 141224766

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-fluorophenyl)propanoic acid?
The IUPAC name of 2-(3-bromo-2-fluorophenyl)propanoic acid (CID 83723745) is 2-(3-bromo-2-fluorophenyl)propanoic acid.
What is the SMILES notation for 2-(3-bromo-2-fluorophenyl)propanoic acid?
The canonical SMILES for 2-(3-bromo-2-fluorophenyl)propanoic acid is CC(C(=O)O)c1cccc(Br)c1F.
What is the InChIKey of 2-(3-bromo-2-fluorophenyl)propanoic acid?
The InChIKey is LQTCWMJGZSGOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-5(9(12)13)6-3-2-4-7(10)8(6)11/h2-5H,1H3,(H,12,13).
What are the key properties of 2-(3-bromo-2-fluorophenyl)propanoic acid?
2-(3-bromo-2-fluorophenyl)propanoic acid has a molecular weight of 247.06 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-fluorophenyl)propanoic acid is sourced from PubChem (CID 83723745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).