tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride

C4Cl4F24N4 — CID 173116716

IUPACtetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride
SMILESFC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4CF6N.4ClH/c4*2-1(3,4)8(5,6)7;;;;/h;;;;4*1H/q4*+1;;;;/p-4
InChIKeyLCFCZFGBPJCLAC-UHFFFAOYSA-J
MW701.84 g/mol
LogP-4.08
Rot. Bonds

About tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride

tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride (PubChem CID 173116716) has the molecular formula C4Cl4F24N4 and a molecular weight of 701.84 g/mol. Its IUPAC name is tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride.

Molecular Properties

Compound Nametetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride
PubChem CID173116716
Molecular FormulaC4Cl4F24N4
Molecular Weight701.84 g/mol
Exact Mass699.85
IUPAC Nametetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride
SMILESFC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/4CF6N.4ClH/c4*2-1(3,4)8(5,6)7;;;;/h;;;;4*1H/q4*+1;;;;/p-4
InChIKeyLCFCZFGBPJCLAC-UHFFFAOYSA-J
XLogP-4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500701.84
LogP ≤ 5-4.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride?
The IUPAC name of tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride (CID 173116716) is tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride.
What is the SMILES notation for tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride?
The canonical SMILES for tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride is FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.FC(F)(F)[N+](F)(F)F.[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride?
The InChIKey is LCFCZFGBPJCLAC-UHFFFAOYSA-J. The full InChI is InChI=1S/4CF6N.4ClH/c4*2-1(3,4)8(5,6)7;;;;/h;;;;4*1H/q4*+1;;;;/p-4.
What are the key properties of tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride?
tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride has a molecular weight of 701.84 g/mol, XLogP of -4.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(trifluoro(trifluoromethyl)azanium);tetrachloride is sourced from PubChem (CID 173116716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).