methyl hydrogen carbonate;2,2,2-trifluoroacetic acid

C4H5F3O5 — CID 158638631

IUPACmethyl hydrogen carbonate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H4O3/c3-2(4,5)1(6)7;1-5-2(3)4/h(H,6,7);1H3,(H,3,4)
InChIKeyIABZFHGMNWVAEV-UHFFFAOYSA-N
MW190.07 g/mol
LogP0.94
Rot. Bonds

About methyl hydrogen carbonate;2,2,2-trifluoroacetic acid

methyl hydrogen carbonate;2,2,2-trifluoroacetic acid (PubChem CID 158638631) has the molecular formula C4H5F3O5 and a molecular weight of 190.07 g/mol. Its IUPAC name is methyl hydrogen carbonate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethyl hydrogen carbonate;2,2,2-trifluoroacetic acid
PubChem CID158638631
Molecular FormulaC4H5F3O5
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Namemethyl hydrogen carbonate;2,2,2-trifluoroacetic acid
SMILESCOC(=O)O.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H4O3/c3-2(4,5)1(6)7;1-5-2(3)4/h(H,6,7);1H3,(H,3,4)
InChIKeyIABZFHGMNWVAEV-UHFFFAOYSA-N
XLogP0.94
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl hydrogen carbonate;2,2,2-trifluoroacetic acid 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

methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
acetic acid;bis(2,2,2-trifluoroacetic acid)
CID 87799840
bis(propan-2-one);2,2,2-trifluoroacetic acid
CID 175331855
acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 175705665
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
CID 85392225
CID 85392225
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002

Frequently Asked Questions

What is the IUPAC name of methyl hydrogen carbonate;2,2,2-trifluoroacetic acid?
The IUPAC name of methyl hydrogen carbonate;2,2,2-trifluoroacetic acid (CID 158638631) is methyl hydrogen carbonate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methyl hydrogen carbonate;2,2,2-trifluoroacetic acid?
The canonical SMILES for methyl hydrogen carbonate;2,2,2-trifluoroacetic acid is COC(=O)O.O=C(O)C(F)(F)F.
What is the InChIKey of methyl hydrogen carbonate;2,2,2-trifluoroacetic acid?
The InChIKey is IABZFHGMNWVAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H4O3/c3-2(4,5)1(6)7;1-5-2(3)4/h(H,6,7);1H3,(H,3,4).
What are the key properties of methyl hydrogen carbonate;2,2,2-trifluoroacetic acid?
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid has a molecular weight of 190.07 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hydrogen carbonate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158638631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).