tetrakis(difluoromethyl)azanium

C4H4F8N+ — CID 57031705

IUPACtetrakis(difluoromethyl)azanium
SMILESFC(F)[N+](C(F)F)(C(F)F)C(F)F
InChIInChI=1S/C4H4F8N/c5-1(6)13(2(7)8,3(9)10)4(11)12/h1-4H/q+1
InChIKeyXIIZZYSTEIRUNK-UHFFFAOYSA-N
MW218.07 g/mol
LogP2.69
Rot. Bonds4

About tetrakis(difluoromethyl)azanium

tetrakis(difluoromethyl)azanium (PubChem CID 57031705) has the molecular formula C4H4F8N+ and a molecular weight of 218.07 g/mol. Its IUPAC name is tetrakis(difluoromethyl)azanium.

Molecular Properties

Compound Nametetrakis(difluoromethyl)azanium
PubChem CID57031705
Molecular FormulaC4H4F8N+
Molecular Weight218.07 g/mol
Exact Mass218.02
IUPAC Nametetrakis(difluoromethyl)azanium
SMILESFC(F)[N+](C(F)F)(C(F)F)C(F)F
InChIInChI=1S/C4H4F8N/c5-1(6)13(2(7)8,3(9)10)4(11)12/h1-4H/q+1
InChIKeyXIIZZYSTEIRUNK-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetrakis(difluoromethyl)azanium?
The IUPAC name of tetrakis(difluoromethyl)azanium (CID 57031705) is tetrakis(difluoromethyl)azanium.
What is the SMILES notation for tetrakis(difluoromethyl)azanium?
The canonical SMILES for tetrakis(difluoromethyl)azanium is FC(F)[N+](C(F)F)(C(F)F)C(F)F.
What is the InChIKey of tetrakis(difluoromethyl)azanium?
The InChIKey is XIIZZYSTEIRUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F8N/c5-1(6)13(2(7)8,3(9)10)4(11)12/h1-4H/q+1.
What are the key properties of tetrakis(difluoromethyl)azanium?
tetrakis(difluoromethyl)azanium has a molecular weight of 218.07 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(difluoromethyl)azanium is sourced from PubChem (CID 57031705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).