difluorozinc;methanidylbenzene;hydrobromide

C7H8BrF2Zn- — CID 87300766

IUPACdifluorozinc;methanidylbenzene;hydrobromide
SMILESBr.F[Zn]F.[CH2-]c1ccccc1
InChIInChI=1S/C7H7.BrH.2FH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2
InChIKeyTUJYMJYJLLURNB-UHFFFAOYSA-L
MW275.43 g/mol
LogP3.28
Rot. Bonds

About difluorozinc;methanidylbenzene;hydrobromide

difluorozinc;methanidylbenzene;hydrobromide (PubChem CID 87300766) has the molecular formula C7H8BrF2Zn- and a molecular weight of 275.43 g/mol. Its IUPAC name is difluorozinc;methanidylbenzene;hydrobromide.

Molecular Properties

Compound Namedifluorozinc;methanidylbenzene;hydrobromide
PubChem CID87300766
Molecular FormulaC7H8BrF2Zn-
Molecular Weight275.43 g/mol
Exact Mass272.91
IUPAC Namedifluorozinc;methanidylbenzene;hydrobromide
SMILESBr.F[Zn]F.[CH2-]c1ccccc1
InChIInChI=1S/C7H7.BrH.2FH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2
InChIKeyTUJYMJYJLLURNB-UHFFFAOYSA-L
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.28
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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Frequently Asked Questions

What is the IUPAC name of difluorozinc;methanidylbenzene;hydrobromide?
The IUPAC name of difluorozinc;methanidylbenzene;hydrobromide (CID 87300766) is difluorozinc;methanidylbenzene;hydrobromide.
What is the SMILES notation for difluorozinc;methanidylbenzene;hydrobromide?
The canonical SMILES for difluorozinc;methanidylbenzene;hydrobromide is Br.F[Zn]F.[CH2-]c1ccccc1.
What is the InChIKey of difluorozinc;methanidylbenzene;hydrobromide?
The InChIKey is TUJYMJYJLLURNB-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H7.BrH.2FH.Zn/c1-7-5-3-2-4-6-7;;;;/h2-6H,1H2;3*1H;/q-1;;;;+2/p-2.
What are the key properties of difluorozinc;methanidylbenzene;hydrobromide?
difluorozinc;methanidylbenzene;hydrobromide has a molecular weight of 275.43 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluorozinc;methanidylbenzene;hydrobromide is sourced from PubChem (CID 87300766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).