trimethyl(trifluoromethoxymethyl)azanium

C5H11F3NO+ — CID 174632701

IUPACtrimethyl(trifluoromethoxymethyl)azanium
SMILESC[N+](C)(C)COC(F)(F)F
InChIInChI=1S/C5H11F3NO/c1-9(2,3)4-10-5(6,7)8/h4H2,1-3H3/q+1
InChIKeyOOXNTARWAYUCOI-UHFFFAOYSA-N
MW158.14 g/mol
LogP1.19
Rot. Bonds2

About trimethyl(trifluoromethoxymethyl)azanium

trimethyl(trifluoromethoxymethyl)azanium (PubChem CID 174632701) has the molecular formula C5H11F3NO+ and a molecular weight of 158.14 g/mol. Its IUPAC name is trimethyl(trifluoromethoxymethyl)azanium.

Molecular Properties

Compound Nametrimethyl(trifluoromethoxymethyl)azanium
PubChem CID174632701
Molecular FormulaC5H11F3NO+
Molecular Weight158.14 g/mol
Exact Mass158.08
IUPAC Nametrimethyl(trifluoromethoxymethyl)azanium
SMILESC[N+](C)(C)COC(F)(F)F
InChIInChI=1S/C5H11F3NO/c1-9(2,3)4-10-5(6,7)8/h4H2,1-3H3/q+1
InChIKeyOOXNTARWAYUCOI-UHFFFAOYSA-N
XLogP1.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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(trifluoromethoxymethyl)azanium?
The IUPAC name of trimethyl(trifluoromethoxymethyl)azanium (CID 174632701) is trimethyl(trifluoromethoxymethyl)azanium.
What is the SMILES notation for trimethyl(trifluoromethoxymethyl)azanium?
The canonical SMILES for trimethyl(trifluoromethoxymethyl)azanium is C[N+](C)(C)COC(F)(F)F.
What is the InChIKey of trimethyl(trifluoromethoxymethyl)azanium?
The InChIKey is OOXNTARWAYUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3NO/c1-9(2,3)4-10-5(6,7)8/h4H2,1-3H3/q+1.
What are the key properties of trimethyl(trifluoromethoxymethyl)azanium?
trimethyl(trifluoromethoxymethyl)azanium has a molecular weight of 158.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(trifluoromethoxymethyl)azanium is sourced from PubChem (CID 174632701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).