methyl-tris(trifluoromethyl)azanium

C4H3F9N+ — CID 87100012

IUPACmethyl-tris(trifluoromethyl)azanium
SMILESC[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F9N/c1-14(2(5,6)7,3(8,9)10)4(11,12)13/h1H3/q+1
InChIKeyDBVZKGVJQRTZIC-UHFFFAOYSA-N
MW236.06 g/mol
LogP2.99
Rot. Bonds

About methyl-tris(trifluoromethyl)azanium

methyl-tris(trifluoromethyl)azanium (PubChem CID 87100012) has the molecular formula C4H3F9N+ and a molecular weight of 236.06 g/mol. Its IUPAC name is methyl-tris(trifluoromethyl)azanium.

Molecular Properties

Compound Namemethyl-tris(trifluoromethyl)azanium
PubChem CID87100012
Molecular FormulaC4H3F9N+
Molecular Weight236.06 g/mol
Exact Mass236.01
IUPAC Namemethyl-tris(trifluoromethyl)azanium
SMILESC[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F9N/c1-14(2(5,6)7,3(8,9)10)4(11,12)13/h1H3/q+1
InChIKeyDBVZKGVJQRTZIC-UHFFFAOYSA-N
XLogP2.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.99
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 methyl-tris(trifluoromethyl)azanium?
The IUPAC name of methyl-tris(trifluoromethyl)azanium (CID 87100012) is methyl-tris(trifluoromethyl)azanium.
What is the SMILES notation for methyl-tris(trifluoromethyl)azanium?
The canonical SMILES for methyl-tris(trifluoromethyl)azanium is C[N+](C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of methyl-tris(trifluoromethyl)azanium?
The InChIKey is DBVZKGVJQRTZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F9N/c1-14(2(5,6)7,3(8,9)10)4(11,12)13/h1H3/q+1.
What are the key properties of methyl-tris(trifluoromethyl)azanium?
methyl-tris(trifluoromethyl)azanium has a molecular weight of 236.06 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris(trifluoromethyl)azanium is sourced from PubChem (CID 87100012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).