tetramethylazanium;trifluoromethanolate

C5H12F3NO — CID 44630782

IUPACtetramethylazanium;trifluoromethanolate
SMILESC[N+](C)(C)C.[O-]C(F)(F)F
InChIInChI=1S/C4H12N.CF3O/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
InChIKeyRXOIVYZLFDYMDS-UHFFFAOYSA-N
MW159.15 g/mol
LogP0.19
Rot. Bonds

About tetramethylazanium;trifluoromethanolate

tetramethylazanium;trifluoromethanolate (PubChem CID 44630782) has the molecular formula C5H12F3NO and a molecular weight of 159.15 g/mol. Its IUPAC name is tetramethylazanium;trifluoromethanolate.

Molecular Properties

Compound Nametetramethylazanium;trifluoromethanolate
PubChem CID44630782
Molecular FormulaC5H12F3NO
Molecular Weight159.15 g/mol
Exact Mass159.09
IUPAC Nametetramethylazanium;trifluoromethanolate
SMILESC[N+](C)(C)C.[O-]C(F)(F)F
InChIInChI=1S/C4H12N.CF3O/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
InChIKeyRXOIVYZLFDYMDS-UHFFFAOYSA-N
XLogP0.19
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Trimethyl(trifluoromethyl)azanium
CID 12654533
Difluoromethyl(trimethyl)azanium
CID 13440986
Fluoroform;tetramethylazanium
CID 22401043
Trimethyl(trifluoromethyl)azanium;hydroxide
CID 23090660
N,N-dimethylmethanamine;trifluoromethanol
CID 46222411
N,N-dimethyl-1-(trifluoromethoxy)methanamine
CID 57128613
N,N-dimethylmethanamine;fluoroform
CID 171924613
N,N-dimethylmethanamine;trifluoromethyl sulfite
CID 174439775
Trimethyl(trifluoromethoxymethyl)azanium
CID 174632701
Tetramethylazanium;trifluoromethyl tellurate
CID 175180579
1-[difluoro-tris(trifluoromethyl)-lambda6-tellanyl]oxy-N,N-dimethylmethanamine
CID 102085980
Tetramethylazanium;trifluoromethanol
CID 170923135

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;trifluoromethanolate?
The IUPAC name of tetramethylazanium;trifluoromethanolate (CID 44630782) is tetramethylazanium;trifluoromethanolate.
What is the SMILES notation for tetramethylazanium;trifluoromethanolate?
The canonical SMILES for tetramethylazanium;trifluoromethanolate is C[N+](C)(C)C.[O-]C(F)(F)F.
What is the InChIKey of tetramethylazanium;trifluoromethanolate?
The InChIKey is RXOIVYZLFDYMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.CF3O/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1.
What are the key properties of tetramethylazanium;trifluoromethanolate?
tetramethylazanium;trifluoromethanolate has a molecular weight of 159.15 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;trifluoromethanolate is sourced from PubChem (CID 44630782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).