2-bromo-1-fluoro-4-(methoxymethoxy)benzene

C8H8BrFO2 — CID 83236358

IUPAC2-bromo-1-fluoro-4-(methoxymethoxy)benzene
SMILESCOCOc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFO2/c1-11-5-12-6-2-3-8(10)7(9)4-6/h2-4H,5H2,1H3
InChIKeySCDAOWGZTMCJLN-UHFFFAOYSA-N
MW235.05 g/mol
LogP2.57
Rot. Bonds3

About 2-bromo-1-fluoro-4-(methoxymethoxy)benzene

2-bromo-1-fluoro-4-(methoxymethoxy)benzene (PubChem CID 83236358) has the molecular formula C8H8BrFO2 and a molecular weight of 235.05 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(methoxymethoxy)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(methoxymethoxy)benzene
PubChem CID83236358
Molecular FormulaC8H8BrFO2
Molecular Weight235.05 g/mol
Exact Mass233.97
IUPAC Name2-bromo-1-fluoro-4-(methoxymethoxy)benzene
SMILESCOCOc1ccc(F)c(Br)c1
InChIInChI=1S/C8H8BrFO2/c1-11-5-12-6-2-3-8(10)7(9)4-6/h2-4H,5H2,1H3
InChIKeySCDAOWGZTMCJLN-UHFFFAOYSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.05
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-bromo-1-fluoro-4-(methoxymethoxy)benzene with MolForge

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

Launch Full Analysis

Related Compounds

2-bromo-1-fluoro-4-(4-methoxybutoxy)benzene
CID 115903983
2-bromo-1-fluoro-4-[2-(4-methoxyphenoxy)ethoxy]benzene
CID 83232381
2-bromo-1-chloro-4-(methoxymethoxy)benzene
CID 162421095
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
(3-bromo-4-fluorophenoxy)methyl-trifluoroboranuide
CID 83234936
2-bromo-4-(2,2-difluoroethoxy)-1-fluorobenzene
CID 83231769
2-bromo-4-(methoxymethoxy)benzaldehyde
CID 24829119
3-(3-bromo-4-fluorophenoxy)propane-1-thiol
CID 83238330
4-(3-bromo-4-fluorophenoxy)-N-methylbutan-1-amine
CID 83234496
1,3-dibromo-2,5-bis(methoxymethoxy)benzene
CID 21364580
1,4-bis(methoxymethoxy)benzene
CID 542643
2-bromo-6-(methoxymethoxy)naphthalene
CID 14499197

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(methoxymethoxy)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(methoxymethoxy)benzene (CID 83236358) is 2-bromo-1-fluoro-4-(methoxymethoxy)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(methoxymethoxy)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(methoxymethoxy)benzene is COCOc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-(methoxymethoxy)benzene?
The InChIKey is SCDAOWGZTMCJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFO2/c1-11-5-12-6-2-3-8(10)7(9)4-6/h2-4H,5H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-(methoxymethoxy)benzene?
2-bromo-1-fluoro-4-(methoxymethoxy)benzene has a molecular weight of 235.05 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-fluoro-4-(methoxymethoxy)benzene is sourced from PubChem (CID 83236358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).