methyl carbonate;trimethyl(trifluoromethyl)azanium

C6H12F3NO3 — CID 159323081

IUPACmethyl carbonate;trimethyl(trifluoromethyl)azanium
SMILESCOC(=O)[O-].C[N+](C)(C)C(F)(F)F
InChIInChI=1S/C4H9F3N.C2H4O3/c1-8(2,3)4(5,6)7;1-5-2(3)4/h1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyLDZXLRVGAUHKAB-UHFFFAOYSA-M
MW203.16 g/mol
LogP0.19
Rot. Bonds

About methyl carbonate;trimethyl(trifluoromethyl)azanium

methyl carbonate;trimethyl(trifluoromethyl)azanium (PubChem CID 159323081) has the molecular formula C6H12F3NO3 and a molecular weight of 203.16 g/mol. Its IUPAC name is methyl carbonate;trimethyl(trifluoromethyl)azanium.

Molecular Properties

Compound Namemethyl carbonate;trimethyl(trifluoromethyl)azanium
PubChem CID159323081
Molecular FormulaC6H12F3NO3
Molecular Weight203.16 g/mol
Exact Mass203.08
IUPAC Namemethyl carbonate;trimethyl(trifluoromethyl)azanium
SMILESCOC(=O)[O-].C[N+](C)(C)C(F)(F)F
InChIInChI=1S/C4H9F3N.C2H4O3/c1-8(2,3)4(5,6)7;1-5-2(3)4/h1-3H3;1H3,(H,3,4)/q+1;/p-1
InChIKeyLDZXLRVGAUHKAB-UHFFFAOYSA-M
XLogP0.19
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl carbonate;trimethyl(trifluoromethyl)azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methane;methyl carbonate;molecular iodine
CID 159941890
bis(2-methoxyethyl)-dimethylazanium;methyl carbonate
CID 167445577
2-methylbutan-2-ylazanium;methyl carbonate
CID 21288591
2,2-difluoro-2-methoxyacetate
CID 164747737
dimethyl 2-fluoro-2-nitropropanedioate
CID 134986144
dimethyl(dioctyl)azanium;methyl carbonate
CID 160720913
CID 87138094
CID 87138094
2-methoxy-2-methylpropanoate
CID 21283494
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
CID 158638631
2,2-difluoropropyl carbonate
CID 154063128
azane;dodecyl(trimethyl)azanium;methyl carbonate;methyl hydrogen carbonate
CID 174575964
azane;methyl carbonate;methyl hydrogen carbonate;trimethyl(octadecyl)azanium
CID 174575977

Frequently Asked Questions

What is the IUPAC name of methyl carbonate;trimethyl(trifluoromethyl)azanium?
The IUPAC name of methyl carbonate;trimethyl(trifluoromethyl)azanium (CID 159323081) is methyl carbonate;trimethyl(trifluoromethyl)azanium.
What is the SMILES notation for methyl carbonate;trimethyl(trifluoromethyl)azanium?
The canonical SMILES for methyl carbonate;trimethyl(trifluoromethyl)azanium is COC(=O)[O-].C[N+](C)(C)C(F)(F)F.
What is the InChIKey of methyl carbonate;trimethyl(trifluoromethyl)azanium?
The InChIKey is LDZXLRVGAUHKAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9F3N.C2H4O3/c1-8(2,3)4(5,6)7;1-5-2(3)4/h1-3H3;1H3,(H,3,4)/q+1;/p-1.
What are the key properties of methyl carbonate;trimethyl(trifluoromethyl)azanium?
methyl carbonate;trimethyl(trifluoromethyl)azanium has a molecular weight of 203.16 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl carbonate;trimethyl(trifluoromethyl)azanium is sourced from PubChem (CID 159323081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).