zinc;1,2-difluorobenzene-6-ide;bromide

C6H3BrF2Zn — CID 172808101

IUPACzinc;1,2-difluorobenzene-6-ide;bromide
SMILESFc1[c-]cccc1F.[Br-].[Zn+2]
InChIInChI=1S/C6H3F2.BrH.Zn/c7-5-3-1-2-4-6(5)8;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyLXHWTBCKWCTGNZ-UHFFFAOYSA-M
MW258.38 g/mol
LogP-1.23
Rot. Bonds

About zinc;1,2-difluorobenzene-6-ide;bromide

zinc;1,2-difluorobenzene-6-ide;bromide (PubChem CID 172808101) has the molecular formula C6H3BrF2Zn and a molecular weight of 258.38 g/mol. Its IUPAC name is zinc;1,2-difluorobenzene-6-ide;bromide.

Molecular Properties

Compound Namezinc;1,2-difluorobenzene-6-ide;bromide
PubChem CID172808101
Molecular FormulaC6H3BrF2Zn
Molecular Weight258.38 g/mol
Exact Mass255.87
IUPAC Namezinc;1,2-difluorobenzene-6-ide;bromide
SMILESFc1[c-]cccc1F.[Br-].[Zn+2]
InChIInChI=1S/C6H3F2.BrH.Zn/c7-5-3-1-2-4-6(5)8;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyLXHWTBCKWCTGNZ-UHFFFAOYSA-M
XLogP-1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 5-1.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

magnesium;1,2-difluorobenzene-6-ide;fluoride;hydrobromide
CID 87244368
magnesium;1-fluoro-2-methylbenzene-3-ide;chloride
CID 54711287
magnesium;1-fluoro-2-pentoxybenzene-3-ide;bromide
CID 133143473
lithium 1-(2-fluorobenzene-3-id-1-yl)pyrrole
CID 177423920
1,2,3-trifluorobenzene-6-ide;zinc
CID 141412419
2-(2-fluorobenzene-6-id-1-yl)pyridine;iridium
CID 21044153
bromozinc(1+);1-butan-2-yloxy-2-fluorobenzene-6-ide
CID 146001976
bromozinc(1+);1,3-difluoro-2-(phenylmethoxy)benzene
CID 146002338
iridium;phenylbenzene
CID 58599975
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
1,2,3-trifluorobenzene
CID 15147
CID 175786851
CID 175786851

Frequently Asked Questions

What is the IUPAC name of zinc;1,2-difluorobenzene-6-ide;bromide?
The IUPAC name of zinc;1,2-difluorobenzene-6-ide;bromide (CID 172808101) is zinc;1,2-difluorobenzene-6-ide;bromide.
What is the SMILES notation for zinc;1,2-difluorobenzene-6-ide;bromide?
The canonical SMILES for zinc;1,2-difluorobenzene-6-ide;bromide is Fc1[c-]cccc1F.[Br-].[Zn+2].
What is the InChIKey of zinc;1,2-difluorobenzene-6-ide;bromide?
The InChIKey is LXHWTBCKWCTGNZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3F2.BrH.Zn/c7-5-3-1-2-4-6(5)8;;/h1-3H;1H;/q-1;;+2/p-1.
What are the key properties of zinc;1,2-difluorobenzene-6-ide;bromide?
zinc;1,2-difluorobenzene-6-ide;bromide has a molecular weight of 258.38 g/mol, XLogP of -1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1,2-difluorobenzene-6-ide;bromide is sourced from PubChem (CID 172808101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).