carbanide;trifluoromethanol;zinc

C2H4F3OZn- — CID 87619955

IUPACcarbanide;trifluoromethanol;zinc
SMILESOC(F)(F)F.[CH3-].[Zn]
InChIInChI=1S/CHF3O.CH3.Zn/c2-1(3,4)5;;/h5H;1H3;/q;-1;
InChIKeyFRATWYUJDTTYNE-UHFFFAOYSA-N
MW166.44 g/mol
LogP0.95
Rot. Bonds

About carbanide;trifluoromethanol;zinc

carbanide;trifluoromethanol;zinc (PubChem CID 87619955) has the molecular formula C2H4F3OZn- and a molecular weight of 166.44 g/mol. Its IUPAC name is carbanide;trifluoromethanol;zinc.

Molecular Properties

Compound Namecarbanide;trifluoromethanol;zinc
PubChem CID87619955
Molecular FormulaC2H4F3OZn-
Molecular Weight166.44 g/mol
Exact Mass164.95
IUPAC Namecarbanide;trifluoromethanol;zinc
SMILESOC(F)(F)F.[CH3-].[Zn]
InChIInChI=1S/CHF3O.CH3.Zn/c2-1(3,4)5;;/h5H;1H3;/q;-1;
InChIKeyFRATWYUJDTTYNE-UHFFFAOYSA-N
XLogP0.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 carbanide;trifluoromethanol;zinc?
The IUPAC name of carbanide;trifluoromethanol;zinc (CID 87619955) is carbanide;trifluoromethanol;zinc.
What is the SMILES notation for carbanide;trifluoromethanol;zinc?
The canonical SMILES for carbanide;trifluoromethanol;zinc is OC(F)(F)F.[CH3-].[Zn].
What is the InChIKey of carbanide;trifluoromethanol;zinc?
The InChIKey is FRATWYUJDTTYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF3O.CH3.Zn/c2-1(3,4)5;;/h5H;1H3;/q;-1;.
What are the key properties of carbanide;trifluoromethanol;zinc?
carbanide;trifluoromethanol;zinc has a molecular weight of 166.44 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;trifluoromethanol;zinc is sourced from PubChem (CID 87619955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).