lithium;carbonic acid;trifluoro(methanidyloxy)methane

C3H4F3LiO4 — CID 161160982

IUPAClithium;carbonic acid;trifluoro(methanidyloxy)methane
SMILESO=C(O)O.[CH2-]OC(F)(F)F.[Li+]
InChIInChI=1S/C2H2F3O.CH2O3.Li/c1-6-2(3,4)5;2-1(3)4;/h1H2;(H2,2,3,4);/q-1;;+1
InChIKeyNYDBIJOEHMEEJF-UHFFFAOYSA-N
MW168.00 g/mol
LogP-1.46
Rot. Bonds

About lithium;carbonic acid;trifluoro(methanidyloxy)methane

lithium;carbonic acid;trifluoro(methanidyloxy)methane (PubChem CID 161160982) has the molecular formula C3H4F3LiO4 and a molecular weight of 168.00 g/mol. Its IUPAC name is lithium;carbonic acid;trifluoro(methanidyloxy)methane.

Molecular Properties

Compound Namelithium;carbonic acid;trifluoro(methanidyloxy)methane
PubChem CID161160982
Molecular FormulaC3H4F3LiO4
Molecular Weight168.00 g/mol
Exact Mass168.02
IUPAC Namelithium;carbonic acid;trifluoro(methanidyloxy)methane
SMILESO=C(O)O.[CH2-]OC(F)(F)F.[Li+]
InChIInChI=1S/C2H2F3O.CH2O3.Li/c1-6-2(3,4)5;2-1(3)4;/h1H2;(H2,2,3,4);/q-1;;+1
InChIKeyNYDBIJOEHMEEJF-UHFFFAOYSA-N
XLogP-1.46
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.00
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium;carbonic acid;trifluoro(methanidyloxy)methane 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

carbonic acid;ruthenium
CID 87059075
carbonic acid;trifluoromethoxyethene
CID 175150293
CID 87914499
CID 87914499
dilithium;sodium;carbonic acid
CID 175804650
copper;methyl trifluoromethanesulfonate
CID 174775711
methyl trifluoromethanesulfonate;silver
CID 174859792
bis(trifluoromethyl) oxalate
CID 71350742
bis(trifluoromethyl) carbonate
CID 21263525
carbonic acid;1,1,1,4,4,4-hexafluorobut-2-ene
CID 160871889
trifluoromethylsulfonylformic acid
CID 54036452
trifluoromethyl carbonofluoridate
CID 541789
lithium;2-chloro-2,2-difluoroacetic acid;hydride
CID 173193324

Frequently Asked Questions

What is the IUPAC name of lithium;carbonic acid;trifluoro(methanidyloxy)methane?
The IUPAC name of lithium;carbonic acid;trifluoro(methanidyloxy)methane (CID 161160982) is lithium;carbonic acid;trifluoro(methanidyloxy)methane.
What is the SMILES notation for lithium;carbonic acid;trifluoro(methanidyloxy)methane?
The canonical SMILES for lithium;carbonic acid;trifluoro(methanidyloxy)methane is O=C(O)O.[CH2-]OC(F)(F)F.[Li+].
What is the InChIKey of lithium;carbonic acid;trifluoro(methanidyloxy)methane?
The InChIKey is NYDBIJOEHMEEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2F3O.CH2O3.Li/c1-6-2(3,4)5;2-1(3)4;/h1H2;(H2,2,3,4);/q-1;;+1.
What are the key properties of lithium;carbonic acid;trifluoro(methanidyloxy)methane?
lithium;carbonic acid;trifluoro(methanidyloxy)methane has a molecular weight of 168.00 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbonic acid;trifluoro(methanidyloxy)methane is sourced from PubChem (CID 161160982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).