difluoromethyl(trimethyl)azanium

C4H10F2N+ — CID 13440986

IUPACdifluoromethyl(trimethyl)azanium
SMILESC[N+](C)(C)C(F)F
InChIInChI=1S/C4H10F2N/c1-7(2,3)4(5)6/h4H,1-3H3/q+1
InChIKeyMWXZLFDTLCUXFT-UHFFFAOYSA-N
MW110.13 g/mol
LogP0.92
Rot. Bonds1

About difluoromethyl(trimethyl)azanium

difluoromethyl(trimethyl)azanium (PubChem CID 13440986) has the molecular formula C4H10F2N+ and a molecular weight of 110.13 g/mol. Its IUPAC name is difluoromethyl(trimethyl)azanium.

Molecular Properties

Compound Namedifluoromethyl(trimethyl)azanium
PubChem CID13440986
Molecular FormulaC4H10F2N+
Molecular Weight110.13 g/mol
Exact Mass110.08
IUPAC Namedifluoromethyl(trimethyl)azanium
SMILESC[N+](C)(C)C(F)F
InChIInChI=1S/C4H10F2N/c1-7(2,3)4(5)6/h4H,1-3H3/q+1
InChIKeyMWXZLFDTLCUXFT-UHFFFAOYSA-N
XLogP0.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 50.92
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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Related Compounds

1,1,1-Trifluorotrimethylamine
CID 136481
Difluoromethyldimethylamine
CID 2758304
Tetramethylammonium (trifluoromethyl)sulfanide
CID 11229088
Tetramethylammonium trifluoromethylate
CID 44630782
Tetramethylammonium trifluoromethaneselenolate
CID 11241514
Tetramethylazanium;fluoride;hydrofluoride
CID 11083862
Tetramethylammonium hydrogendifluoride
CID 18377616
Trimethyl(trifluoromethyl)azanium
CID 12654533
Fluoromethyl(trimethyl)azanium
CID 13440975
Fluoroform;tetramethylazanium
CID 22401043
Dimethyl-bis(trifluoromethyl)azanium
CID 22460902
Trimethyl(trifluoromethyl)azanium;hydroxide
CID 23090660

Frequently Asked Questions

What is the IUPAC name of difluoromethyl(trimethyl)azanium?
The IUPAC name of difluoromethyl(trimethyl)azanium (CID 13440986) is difluoromethyl(trimethyl)azanium.
What is the SMILES notation for difluoromethyl(trimethyl)azanium?
The canonical SMILES for difluoromethyl(trimethyl)azanium is C[N+](C)(C)C(F)F.
What is the InChIKey of difluoromethyl(trimethyl)azanium?
The InChIKey is MWXZLFDTLCUXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10F2N/c1-7(2,3)4(5)6/h4H,1-3H3/q+1.
What are the key properties of difluoromethyl(trimethyl)azanium?
difluoromethyl(trimethyl)azanium has a molecular weight of 110.13 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethyl(trimethyl)azanium is sourced from PubChem (CID 13440986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).