2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene

C10H12BrFO2 — CID 155774916

IUPAC2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene
SMILESCOCOCCc1cccc(F)c1Br
InChIInChI=1S/C10H12BrFO2/c1-13-7-14-6-5-8-3-2-4-9(12)10(8)11/h2-4H,5-7H2,1H3
InChIKeyYMOVDOAZTWIKAC-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.75
Rot. Bonds5

About 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene

2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene (PubChem CID 155774916) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene
PubChem CID155774916
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene
SMILESCOCOCCc1cccc(F)c1Br
InChIInChI=1S/C10H12BrFO2/c1-13-7-14-6-5-8-3-2-4-9(12)10(8)11/h2-4H,5-7H2,1H3
InChIKeyYMOVDOAZTWIKAC-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'}

Analyze 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene 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-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene?
The IUPAC name of 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene (CID 155774916) is 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene.
What is the SMILES notation for 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene?
The canonical SMILES for 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene is COCOCCc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene?
The InChIKey is YMOVDOAZTWIKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-7-14-6-5-8-3-2-4-9(12)10(8)11/h2-4H,5-7H2,1H3.
What are the key properties of 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene?
2-bromo-1-fluoro-3-[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 2-bromo-1-fluoro-3-[2-(methoxymethoxy)ethyl]benzene is sourced from PubChem (CID 155774916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).