bromozinc(1+);2-fluoroethoxymethylbenzene

C9H10BrFOZn — CID 133144856

IUPACbromozinc(1+);2-fluoroethoxymethylbenzene
SMILESFCCOCc1c[c-]ccc1.[Zn+]Br
InChIInChI=1S/C9H10FO.BrH.Zn/c10-6-7-11-8-9-4-2-1-3-5-9;;/h1-2,4-5H,6-8H2;1H;/q-1;;+2/p-1
InChIKeyWTLQZRFVYOMYTD-UHFFFAOYSA-M
MW298.47 g/mol
LogP2.82
Rot. Bonds4

About bromozinc(1+);2-fluoroethoxymethylbenzene

bromozinc(1+);2-fluoroethoxymethylbenzene (PubChem CID 133144856) has the molecular formula C9H10BrFOZn and a molecular weight of 298.47 g/mol. Its IUPAC name is bromozinc(1+);2-fluoroethoxymethylbenzene.

Molecular Properties

Compound Namebromozinc(1+);2-fluoroethoxymethylbenzene
PubChem CID133144856
Molecular FormulaC9H10BrFOZn
Molecular Weight298.47 g/mol
Exact Mass295.92
IUPAC Namebromozinc(1+);2-fluoroethoxymethylbenzene
SMILESFCCOCc1c[c-]ccc1.[Zn+]Br
InChIInChI=1S/C9H10FO.BrH.Zn/c10-6-7-11-8-9-4-2-1-3-5-9;;/h1-2,4-5H,6-8H2;1H;/q-1;;+2/p-1
InChIKeyWTLQZRFVYOMYTD-UHFFFAOYSA-M
XLogP2.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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5-bromopentoxymethylbenzene;1,5-dibromopentane
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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2-fluoroethoxymethylbenzene?
The IUPAC name of bromozinc(1+);2-fluoroethoxymethylbenzene (CID 133144856) is bromozinc(1+);2-fluoroethoxymethylbenzene.
What is the SMILES notation for bromozinc(1+);2-fluoroethoxymethylbenzene?
The canonical SMILES for bromozinc(1+);2-fluoroethoxymethylbenzene is FCCOCc1c[c-]ccc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-fluoroethoxymethylbenzene?
The InChIKey is WTLQZRFVYOMYTD-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10FO.BrH.Zn/c10-6-7-11-8-9-4-2-1-3-5-9;;/h1-2,4-5H,6-8H2;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2-fluoroethoxymethylbenzene?
bromozinc(1+);2-fluoroethoxymethylbenzene has a molecular weight of 298.47 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-fluoroethoxymethylbenzene is sourced from PubChem (CID 133144856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).