1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene

C10H12BrFO2 — CID 11845755

IUPAC1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene
SMILESCOCOCCc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFO2/c1-13-7-14-5-4-8-6-9(12)2-3-10(8)11/h2-3,6H,4-5,7H2,1H3
InChIKeyATWHLVHDDXTKFJ-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.75
Rot. Bonds5

About 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene

1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene (PubChem CID 11845755) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene.

Molecular Properties

Compound Name1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene
PubChem CID11845755
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene
SMILESCOCOCCc1cc(F)ccc1Br
InChIInChI=1S/C10H12BrFO2/c1-13-7-14-5-4-8-6-9(12)2-3-10(8)11/h2-3,6H,4-5,7H2,1H3
InChIKeyATWHLVHDDXTKFJ-UHFFFAOYSA-N
XLogP2.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene?
The IUPAC name of 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene (CID 11845755) is 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene.
What is the SMILES notation for 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene?
The canonical SMILES for 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene is COCOCCc1cc(F)ccc1Br.
What is the InChIKey of 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene?
The InChIKey is ATWHLVHDDXTKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-7-14-5-4-8-6-9(12)2-3-10(8)11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene?
1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene has a molecular weight of 263.11 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluoro-2-[2-(methoxymethoxy)ethyl]benzene is sourced from PubChem (CID 11845755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).