hydron;tetramethylazanium;difluoride

C4H13F2N — CID 18377616

IUPAChydron;tetramethylazanium;difluoride
SMILESC[N+](C)(C)C.[F-].[F-].[H+]
InChIInChI=1S/C4H12N.2FH/c1-5(2,3)4;;/h1-4H3;2*1H/q+1;;/p-1
InChIKeyMSCIUSDXJVEIBZ-UHFFFAOYSA-M
MW113.15 g/mol
LogP-5.56
Rot. Bonds

About hydron;tetramethylazanium;difluoride

hydron;tetramethylazanium;difluoride (PubChem CID 18377616) has the molecular formula C4H13F2N and a molecular weight of 113.15 g/mol. Its IUPAC name is hydron;tetramethylazanium;difluoride.

Molecular Properties

Compound Namehydron;tetramethylazanium;difluoride
PubChem CID18377616
Molecular FormulaC4H13F2N
Molecular Weight113.15 g/mol
Exact Mass113.10
IUPAC Namehydron;tetramethylazanium;difluoride
SMILESC[N+](C)(C)C.[F-].[F-].[H+]
InChIInChI=1S/C4H12N.2FH/c1-5(2,3)4;;/h1-4H3;2*1H/q+1;;/p-1
InChIKeyMSCIUSDXJVEIBZ-UHFFFAOYSA-M
XLogP-5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.15
LogP ≤ 5-5.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydron;tetramethylazanium;difluoride?
The IUPAC name of hydron;tetramethylazanium;difluoride (CID 18377616) is hydron;tetramethylazanium;difluoride.
What is the SMILES notation for hydron;tetramethylazanium;difluoride?
The canonical SMILES for hydron;tetramethylazanium;difluoride is C[N+](C)(C)C.[F-].[F-].[H+].
What is the InChIKey of hydron;tetramethylazanium;difluoride?
The InChIKey is MSCIUSDXJVEIBZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H12N.2FH/c1-5(2,3)4;;/h1-4H3;2*1H/q+1;;/p-1.
What are the key properties of hydron;tetramethylazanium;difluoride?
hydron;tetramethylazanium;difluoride has a molecular weight of 113.15 g/mol, XLogP of -5.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;tetramethylazanium;difluoride is sourced from PubChem (CID 18377616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).