cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate

C11H10BrFO2 — CID 175051182

IUPACcyclopropyl 2-(3-bromo-2-fluorophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1F)OC1CC1
InChIInChI=1S/C11H10BrFO2/c12-9-3-1-2-7(11(9)13)6-10(14)15-8-4-5-8/h1-3,8H,4-6H2
InChIKeyAQQOAPBAIAYWJY-UHFFFAOYSA-N
MW273.10 g/mol
LogP2.84
Rot. Bonds3

About cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate

cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate (PubChem CID 175051182) has the molecular formula C11H10BrFO2 and a molecular weight of 273.10 g/mol. Its IUPAC name is cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate.

Molecular Properties

Compound Namecyclopropyl 2-(3-bromo-2-fluorophenyl)acetate
PubChem CID175051182
Molecular FormulaC11H10BrFO2
Molecular Weight273.10 g/mol
Exact Mass271.98
IUPAC Namecyclopropyl 2-(3-bromo-2-fluorophenyl)acetate
SMILESO=C(Cc1cccc(Br)c1F)OC1CC1
InChIInChI=1S/C11H10BrFO2/c12-9-3-1-2-7(11(9)13)6-10(14)15-8-4-5-8/h1-3,8H,4-6H2
InChIKeyAQQOAPBAIAYWJY-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.10
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate 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 cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate?
The IUPAC name of cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate (CID 175051182) is cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate.
What is the SMILES notation for cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate?
The canonical SMILES for cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate is O=C(Cc1cccc(Br)c1F)OC1CC1.
What is the InChIKey of cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate?
The InChIKey is AQQOAPBAIAYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFO2/c12-9-3-1-2-7(11(9)13)6-10(14)15-8-4-5-8/h1-3,8H,4-6H2.
What are the key properties of cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate?
cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate has a molecular weight of 273.10 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl 2-(3-bromo-2-fluorophenyl)acetate is sourced from PubChem (CID 175051182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).