zinc;3,3,4,4-tetrafluorobut-1-ene;bromide

C4H3BrF4Zn — CID 162540262

IUPACzinc;3,3,4,4-tetrafluorobut-1-ene;bromide
SMILESC=CC(F)(F)[C-](F)F.[Br-].[Zn+2]
InChIInChI=1S/C4H3F4.BrH.Zn/c1-2-4(7,8)3(5)6;;/h2H,1H2;1H;/q-1;;+2/p-1
InChIKeyMDFUEYFUGPREJU-UHFFFAOYSA-M
MW272.35 g/mol
LogP-0.76
Rot. Bonds2

About zinc;3,3,4,4-tetrafluorobut-1-ene;bromide

zinc;3,3,4,4-tetrafluorobut-1-ene;bromide (PubChem CID 162540262) has the molecular formula C4H3BrF4Zn and a molecular weight of 272.35 g/mol. Its IUPAC name is zinc;3,3,4,4-tetrafluorobut-1-ene;bromide.

Molecular Properties

Compound Namezinc;3,3,4,4-tetrafluorobut-1-ene;bromide
PubChem CID162540262
Molecular FormulaC4H3BrF4Zn
Molecular Weight272.35 g/mol
Exact Mass269.86
IUPAC Namezinc;3,3,4,4-tetrafluorobut-1-ene;bromide
SMILESC=CC(F)(F)[C-](F)F.[Br-].[Zn+2]
InChIInChI=1S/C4H3F4.BrH.Zn/c1-2-4(7,8)3(5)6;;/h2H,1H2;1H;/q-1;;+2/p-1
InChIKeyMDFUEYFUGPREJU-UHFFFAOYSA-M
XLogP-0.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.76
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;3,3,4,4-tetrafluorobut-1-ene;bromide?
The IUPAC name of zinc;3,3,4,4-tetrafluorobut-1-ene;bromide (CID 162540262) is zinc;3,3,4,4-tetrafluorobut-1-ene;bromide.
What is the SMILES notation for zinc;3,3,4,4-tetrafluorobut-1-ene;bromide?
The canonical SMILES for zinc;3,3,4,4-tetrafluorobut-1-ene;bromide is C=CC(F)(F)[C-](F)F.[Br-].[Zn+2].
What is the InChIKey of zinc;3,3,4,4-tetrafluorobut-1-ene;bromide?
The InChIKey is MDFUEYFUGPREJU-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H3F4.BrH.Zn/c1-2-4(7,8)3(5)6;;/h2H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of zinc;3,3,4,4-tetrafluorobut-1-ene;bromide?
zinc;3,3,4,4-tetrafluorobut-1-ene;bromide has a molecular weight of 272.35 g/mol, XLogP of -0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3,3,4,4-tetrafluorobut-1-ene;bromide is sourced from PubChem (CID 162540262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).