diethyl-methyl-(trifluoromethyl)azanium

C6H13F3N+ — CID 12654534

IUPACdiethyl-methyl-(trifluoromethyl)azanium
SMILESCC[N+](C)(CC)C(F)(F)F
InChIInChI=1S/C6H13F3N/c1-4-10(3,5-2)6(7,8)9/h4-5H2,1-3H3/q+1
InChIKeyPRPHDQNNQKARFS-UHFFFAOYSA-N
MW156.17 g/mol
LogP1.99
Rot. Bonds2

About diethyl-methyl-(trifluoromethyl)azanium

diethyl-methyl-(trifluoromethyl)azanium (PubChem CID 12654534) has the molecular formula C6H13F3N+ and a molecular weight of 156.17 g/mol. Its IUPAC name is diethyl-methyl-(trifluoromethyl)azanium.

Molecular Properties

Compound Namediethyl-methyl-(trifluoromethyl)azanium
PubChem CID12654534
Molecular FormulaC6H13F3N+
Molecular Weight156.17 g/mol
Exact Mass156.10
IUPAC Namediethyl-methyl-(trifluoromethyl)azanium
SMILESCC[N+](C)(CC)C(F)(F)F
InChIInChI=1S/C6H13F3N/c1-4-10(3,5-2)6(7,8)9/h4-5H2,1-3H3/q+1
InChIKeyPRPHDQNNQKARFS-UHFFFAOYSA-N
XLogP1.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.17
LogP ≤ 51.99
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 diethyl-methyl-(trifluoromethyl)azanium?
The IUPAC name of diethyl-methyl-(trifluoromethyl)azanium (CID 12654534) is diethyl-methyl-(trifluoromethyl)azanium.
What is the SMILES notation for diethyl-methyl-(trifluoromethyl)azanium?
The canonical SMILES for diethyl-methyl-(trifluoromethyl)azanium is CC[N+](C)(CC)C(F)(F)F.
What is the InChIKey of diethyl-methyl-(trifluoromethyl)azanium?
The InChIKey is PRPHDQNNQKARFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N/c1-4-10(3,5-2)6(7,8)9/h4-5H2,1-3H3/q+1.
What are the key properties of diethyl-methyl-(trifluoromethyl)azanium?
diethyl-methyl-(trifluoromethyl)azanium has a molecular weight of 156.17 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-methyl-(trifluoromethyl)azanium is sourced from PubChem (CID 12654534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).