dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)

C7H8B2F9K2N3 — CID 158808445

IUPACdipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)
SMILESC.C.FB(F)F.F[C-](F)F.F[C-](F)F.N#CB(C#N)C#N.[K+].[K+]
InChIInChI=1S/C3BN3.2CF3.2CH4.BF3.2K/c5-1-4(2-6)3-7;2*2-1(3)4;;;2-1(3)4;;/h;;;2*1H4;;;/q;2*-1;;;;2*+1
InChIKeyQPZGJTSZTIQLDV-UHFFFAOYSA-N
MW404.96 g/mol
LogP-1.49
Rot. Bonds

About dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)

dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane) (PubChem CID 158808445) has the molecular formula C7H8B2F9K2N3 and a molecular weight of 404.96 g/mol. Its IUPAC name is dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane).

Molecular Properties

Compound Namedipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)
PubChem CID158808445
Molecular FormulaC7H8B2F9K2N3
Molecular Weight404.96 g/mol
Exact Mass405.00
IUPAC Namedipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)
SMILESC.C.FB(F)F.F[C-](F)F.F[C-](F)F.N#CB(C#N)C#N.[K+].[K+]
InChIInChI=1S/C3BN3.2CF3.2CH4.BF3.2K/c5-1-4(2-6)3-7;2*2-1(3)4;;;2-1(3)4;;/h;;;2*1H4;;;/q;2*-1;;;;2*+1
InChIKeyQPZGJTSZTIQLDV-UHFFFAOYSA-N
XLogP-1.49
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.96
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)?
The IUPAC name of dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane) (CID 158808445) is dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane).
What is the SMILES notation for dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)?
The canonical SMILES for dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane) is C.C.FB(F)F.F[C-](F)F.F[C-](F)F.N#CB(C#N)C#N.[K+].[K+].
What is the InChIKey of dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)?
The InChIKey is QPZGJTSZTIQLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3BN3.2CF3.2CH4.BF3.2K/c5-1-4(2-6)3-7;2*2-1(3)4;;;2-1(3)4;;/h;;;2*1H4;;;/q;2*-1;;;;2*+1.
What are the key properties of dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane)?
dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane) has a molecular weight of 404.96 g/mol, XLogP of -1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;dicyanoboranylformonitrile;methane;trifluoroborane;bis(trifluoromethane) is sourced from PubChem (CID 158808445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).