1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride

C7H6Cl2FOZn- — CID 87280067

IUPAC1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride
SMILESCOc1c(F)[c-]ccc1Cl.Cl.[Zn]
InChIInChI=1S/C7H5ClFO.ClH.Zn/c1-10-7-5(8)3-2-4-6(7)9;;/h2-3H,1H3;1H;/q-1;;
InChIKeyNAFDIPISLHPYGU-UHFFFAOYSA-N
MW261.42 g/mol
LogP2.71
Rot. Bonds1

About 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride

1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride (PubChem CID 87280067) has the molecular formula C7H6Cl2FOZn- and a molecular weight of 261.42 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride
PubChem CID87280067
Molecular FormulaC7H6Cl2FOZn-
Molecular Weight261.42 g/mol
Exact Mass258.91
IUPAC Name1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride
SMILESCOc1c(F)[c-]ccc1Cl.Cl.[Zn]
InChIInChI=1S/C7H5ClFO.ClH.Zn/c1-10-7-5(8)3-2-4-6(7)9;;/h2-3H,1H3;1H;/q-1;;
InChIKeyNAFDIPISLHPYGU-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.42
LogP ≤ 52.71
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 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride?
The IUPAC name of 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride (CID 87280067) is 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride.
What is the SMILES notation for 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride?
The canonical SMILES for 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride is COc1c(F)[c-]ccc1Cl.Cl.[Zn].
What is the InChIKey of 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride?
The InChIKey is NAFDIPISLHPYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFO.ClH.Zn/c1-10-7-5(8)3-2-4-6(7)9;;/h2-3H,1H3;1H;/q-1;;.
What are the key properties of 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride?
1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride has a molecular weight of 261.42 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-methoxybenzene-4-ide;zinc;hydrochloride is sourced from PubChem (CID 87280067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).