methyl 2-(4-bromo-3-fluorophenyl)acetate

C9H8BrFO2 — CID 71265948

IUPACmethyl 2-(4-bromo-3-fluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C9H8BrFO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKeyGJSFSDMLTLWFQN-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.30
Rot. Bonds2

About methyl 2-(4-bromo-3-fluorophenyl)acetate

methyl 2-(4-bromo-3-fluorophenyl)acetate (PubChem CID 71265948) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is methyl 2-(4-bromo-3-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-bromo-3-fluorophenyl)acetate
PubChem CID71265948
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Namemethyl 2-(4-bromo-3-fluorophenyl)acetate
SMILESCOC(=O)Cc1ccc(Br)c(F)c1
InChIInChI=1S/C9H8BrFO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3
InChIKeyGJSFSDMLTLWFQN-UHFFFAOYSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-bromo-3-fluorophenyl)acetate?
The IUPAC name of methyl 2-(4-bromo-3-fluorophenyl)acetate (CID 71265948) is methyl 2-(4-bromo-3-fluorophenyl)acetate.
What is the SMILES notation for methyl 2-(4-bromo-3-fluorophenyl)acetate?
The canonical SMILES for methyl 2-(4-bromo-3-fluorophenyl)acetate is COC(=O)Cc1ccc(Br)c(F)c1.
What is the InChIKey of methyl 2-(4-bromo-3-fluorophenyl)acetate?
The InChIKey is GJSFSDMLTLWFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c1-13-9(12)5-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3.
What are the key properties of methyl 2-(4-bromo-3-fluorophenyl)acetate?
methyl 2-(4-bromo-3-fluorophenyl)acetate has a molecular weight of 247.06 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-bromo-3-fluorophenyl)acetate is sourced from PubChem (CID 71265948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).