zinc;carbanide;3,3,3-trifluoroprop-1-ene

C4H5F3Zn — CID 21135787

IUPACzinc;carbanide;3,3,3-trifluoroprop-1-ene
SMILESC=[C-]C(F)(F)F.[CH3-].[Zn+2]
InChIInChI=1S/C3H2F3.CH3.Zn/c1-2-3(4,5)6;;/h1H2;1H3;/q2*-1;+2
InChIKeyPAIUZKCCKUKFOW-UHFFFAOYSA-N
MW175.47 g/mol
LogP1.99
Rot. Bonds

About zinc;carbanide;3,3,3-trifluoroprop-1-ene

zinc;carbanide;3,3,3-trifluoroprop-1-ene (PubChem CID 21135787) has the molecular formula C4H5F3Zn and a molecular weight of 175.47 g/mol. Its IUPAC name is zinc;carbanide;3,3,3-trifluoroprop-1-ene.

Molecular Properties

Compound Namezinc;carbanide;3,3,3-trifluoroprop-1-ene
PubChem CID21135787
Molecular FormulaC4H5F3Zn
Molecular Weight175.47 g/mol
Exact Mass173.96
IUPAC Namezinc;carbanide;3,3,3-trifluoroprop-1-ene
SMILESC=[C-]C(F)(F)F.[CH3-].[Zn+2]
InChIInChI=1S/C3H2F3.CH3.Zn/c1-2-3(4,5)6;;/h1H2;1H3;/q2*-1;+2
InChIKeyPAIUZKCCKUKFOW-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.47
LogP ≤ 51.99
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 zinc;carbanide;3,3,3-trifluoroprop-1-ene?
The IUPAC name of zinc;carbanide;3,3,3-trifluoroprop-1-ene (CID 21135787) is zinc;carbanide;3,3,3-trifluoroprop-1-ene.
What is the SMILES notation for zinc;carbanide;3,3,3-trifluoroprop-1-ene?
The canonical SMILES for zinc;carbanide;3,3,3-trifluoroprop-1-ene is C=[C-]C(F)(F)F.[CH3-].[Zn+2].
What is the InChIKey of zinc;carbanide;3,3,3-trifluoroprop-1-ene?
The InChIKey is PAIUZKCCKUKFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F3.CH3.Zn/c1-2-3(4,5)6;;/h1H2;1H3;/q2*-1;+2.
What are the key properties of zinc;carbanide;3,3,3-trifluoroprop-1-ene?
zinc;carbanide;3,3,3-trifluoroprop-1-ene has a molecular weight of 175.47 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;carbanide;3,3,3-trifluoroprop-1-ene is sourced from PubChem (CID 21135787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).