trimethyl(trifluoromethyl)azanium

C4H9F3N+ — CID 12654533

IUPACtrimethyl(trifluoromethyl)azanium
SMILESC[N+](C)(C)C(F)(F)F
InChIInChI=1S/C4H9F3N/c1-8(2,3)4(5,6)7/h1-3H3/q+1
InChIKeyFLKNJAGOCCDUKC-UHFFFAOYSA-N
MW128.12 g/mol
LogP1.21
Rot. Bonds

About trimethyl(trifluoromethyl)azanium

trimethyl(trifluoromethyl)azanium (PubChem CID 12654533) has the molecular formula C4H9F3N+ and a molecular weight of 128.12 g/mol. Its IUPAC name is trimethyl(trifluoromethyl)azanium.

Molecular Properties

Compound Nametrimethyl(trifluoromethyl)azanium
PubChem CID12654533
Molecular FormulaC4H9F3N+
Molecular Weight128.12 g/mol
Exact Mass128.07
IUPAC Nametrimethyl(trifluoromethyl)azanium
SMILESC[N+](C)(C)C(F)(F)F
InChIInChI=1S/C4H9F3N/c1-8(2,3)4(5,6)7/h1-3H3/q+1
InChIKeyFLKNJAGOCCDUKC-UHFFFAOYSA-N
XLogP1.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.12
LogP ≤ 51.21
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 trimethyl(trifluoromethyl)azanium?
The IUPAC name of trimethyl(trifluoromethyl)azanium (CID 12654533) is trimethyl(trifluoromethyl)azanium.
What is the SMILES notation for trimethyl(trifluoromethyl)azanium?
The canonical SMILES for trimethyl(trifluoromethyl)azanium is C[N+](C)(C)C(F)(F)F.
What is the InChIKey of trimethyl(trifluoromethyl)azanium?
The InChIKey is FLKNJAGOCCDUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N/c1-8(2,3)4(5,6)7/h1-3H3/q+1.
What are the key properties of trimethyl(trifluoromethyl)azanium?
trimethyl(trifluoromethyl)azanium has a molecular weight of 128.12 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(trifluoromethyl)azanium is sourced from PubChem (CID 12654533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).