2-bromo-4-fluoro-1-propoxybenzene

C9H10BrFO — CID 24701089

IUPAC2-bromo-4-fluoro-1-propoxybenzene
SMILESCCCOc1ccc(F)cc1Br
InChIInChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3
InChIKeyMZASMHWXAIRSKJ-UHFFFAOYSA-N
MW233.08 g/mol
LogP3.38
Rot. Bonds3

About 2-bromo-4-fluoro-1-propoxybenzene

2-bromo-4-fluoro-1-propoxybenzene (PubChem CID 24701089) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-bromo-4-fluoro-1-propoxybenzene.

Molecular Properties

Compound Name2-bromo-4-fluoro-1-propoxybenzene
PubChem CID24701089
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name2-bromo-4-fluoro-1-propoxybenzene
SMILESCCCOc1ccc(F)cc1Br
InChIInChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3
InChIKeyMZASMHWXAIRSKJ-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-4-fluoro-1-propoxybenzene 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-bromo-4-fluoro-1-propoxybenzene?
The IUPAC name of 2-bromo-4-fluoro-1-propoxybenzene (CID 24701089) is 2-bromo-4-fluoro-1-propoxybenzene.
What is the SMILES notation for 2-bromo-4-fluoro-1-propoxybenzene?
The canonical SMILES for 2-bromo-4-fluoro-1-propoxybenzene is CCCOc1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-1-propoxybenzene?
The InChIKey is MZASMHWXAIRSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-2-5-12-9-4-3-7(11)6-8(9)10/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-bromo-4-fluoro-1-propoxybenzene?
2-bromo-4-fluoro-1-propoxybenzene has a molecular weight of 233.08 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-1-propoxybenzene is sourced from PubChem (CID 24701089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).