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

C10H12BrFO2 — CID 20785418

IUPAC2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFO2/c1-13-4-5-14-7-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyIBAUVIOFKKCXQQ-UHFFFAOYSA-N
MW263.11 g/mol
LogP2.75
Rot. Bonds5

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

2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene (PubChem CID 20785418) has the molecular formula C10H12BrFO2 and a molecular weight of 263.11 g/mol. Its IUPAC name is 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene
PubChem CID20785418
Molecular FormulaC10H12BrFO2
Molecular Weight263.11 g/mol
Exact Mass262.00
IUPAC Name2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene
SMILESCOCCOCc1ccc(F)c(Br)c1
InChIInChI=1S/C10H12BrFO2/c1-13-4-5-14-7-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5,7H2,1H3
InChIKeyIBAUVIOFKKCXQQ-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'}

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Related Compounds

2-(3-Bromophenyl)-1,3-dioxolane
CID 87306
1-Bromo-3-(dimethoxymethyl)benzene
CID 105395
2-(3-Bromophenyl)oxirane
CID 147193
2-(4-Bromophenyl)-2-methyl-1,3-dioxolane
CID 614920
1-Bromo-4-(1-methoxyethyl)benzene
CID 10965890
4-Bromobenzyl methyl ether
CID 12662296
1-Bromo-2-(methoxymethyl)benzene
CID 12927162
1-Bromo-3-(methoxymethyl)benzene
CID 13219582
1,3-Dioxolane, 2-(3-bromo-4-fluorophenyl)-
CID 10977765
1-((Benzyloxy)methyl)-4-bromobenzene
CID 11254408
2-Bromo-5-fluorobenzyl alcohol, tert.-butyl ether
CID 91730098
1-Bromo-4-(ethoxymethyl)benzene
CID 598187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene?
The IUPAC name of 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene (CID 20785418) is 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene.
What is the SMILES notation for 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene?
The canonical SMILES for 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene is COCCOCc1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene?
The InChIKey is IBAUVIOFKKCXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFO2/c1-13-4-5-14-7-8-2-3-10(12)9(11)6-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)benzene?
2-bromo-1-fluoro-4-(2-methoxyethoxymethyl)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-4-(2-methoxyethoxymethyl)benzene is sourced from PubChem (CID 20785418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).