2-(3,5-dibromo-2-fluorophenyl)acetic acid

C8H5Br2FO2 — CID 2773982

IUPAC2-(3,5-dibromo-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc(Br)c1F
InChIInChI=1S/C8H5Br2FO2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13)
InChIKeyGZOODBCAUYABJK-UHFFFAOYSA-N
MW311.93 g/mol
LogP2.98
Rot. Bonds2

About 2-(3,5-dibromo-2-fluorophenyl)acetic acid

2-(3,5-dibromo-2-fluorophenyl)acetic acid (PubChem CID 2773982) has the molecular formula C8H5Br2FO2 and a molecular weight of 311.93 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dibromo-2-fluorophenyl)acetic acid
PubChem CID2773982
Molecular FormulaC8H5Br2FO2
Molecular Weight311.93 g/mol
Exact Mass309.86
IUPAC Name2-(3,5-dibromo-2-fluorophenyl)acetic acid
SMILESO=C(O)Cc1cc(Br)cc(Br)c1F
InChIInChI=1S/C8H5Br2FO2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13)
InChIKeyGZOODBCAUYABJK-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.93
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(3,5-dibromo-2-fluorophenyl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-fluorophenyl)acetic acid?
The IUPAC name of 2-(3,5-dibromo-2-fluorophenyl)acetic acid (CID 2773982) is 2-(3,5-dibromo-2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dibromo-2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3,5-dibromo-2-fluorophenyl)acetic acid is O=C(O)Cc1cc(Br)cc(Br)c1F.
What is the InChIKey of 2-(3,5-dibromo-2-fluorophenyl)acetic acid?
The InChIKey is GZOODBCAUYABJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2FO2/c9-5-1-4(2-7(12)13)8(11)6(10)3-5/h1,3H,2H2,(H,12,13).
What are the key properties of 2-(3,5-dibromo-2-fluorophenyl)acetic acid?
2-(3,5-dibromo-2-fluorophenyl)acetic acid has a molecular weight of 311.93 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-fluorophenyl)acetic acid is sourced from PubChem (CID 2773982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).