bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide

C10H12BrFOZn — CID 146001988

IUPACbromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide
SMILESCC(C)(C)Oc1c[c-]cc(F)c1.[Zn+]Br
InChIInChI=1S/C10H12FO.BrH.Zn/c1-10(2,3)12-9-6-4-5-8(11)7-9;;/h5-7H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyFYIULMPFCKOHAY-UHFFFAOYSA-M
MW312.50 g/mol
LogP3.65
Rot. Bonds1

About bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide

bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide (PubChem CID 146001988) has the molecular formula C10H12BrFOZn and a molecular weight of 312.50 g/mol. Its IUPAC name is bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide.

Molecular Properties

Compound Namebromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide
PubChem CID146001988
Molecular FormulaC10H12BrFOZn
Molecular Weight312.50 g/mol
Exact Mass309.93
IUPAC Namebromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide
SMILESCC(C)(C)Oc1c[c-]cc(F)c1.[Zn+]Br
InChIInChI=1S/C10H12FO.BrH.Zn/c1-10(2,3)12-9-6-4-5-8(11)7-9;;/h5-7H,1-3H3;1H;/q-1;;+2/p-1
InChIKeyFYIULMPFCKOHAY-UHFFFAOYSA-M
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide?
The IUPAC name of bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide (CID 146001988) is bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide.
What is the SMILES notation for bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide?
The canonical SMILES for bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide is CC(C)(C)Oc1c[c-]cc(F)c1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide?
The InChIKey is FYIULMPFCKOHAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12FO.BrH.Zn/c1-10(2,3)12-9-6-4-5-8(11)7-9;;/h5-7H,1-3H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide?
bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide has a molecular weight of 312.50 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);1-fluoro-3-[(2-methylpropan-2-yl)oxy]benzene-5-ide is sourced from PubChem (CID 146001988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).