ethanol;methanamine;2,2,2-trifluoroacetic acid

C5H12F3NO3 — CID 175427045

IUPACethanol;methanamine;2,2,2-trifluoroacetic acid
SMILESCCO.CN.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6O.CH5N/c3-2(4,5)1(6)7;1-2-3;1-2/h(H,6,7);3H,2H2,1H3;2H2,1H3
InChIKeyHSMLIARTKNZAKW-UHFFFAOYSA-N
MW191.15 g/mol
LogP0.21
Rot. Bonds

About ethanol;methanamine;2,2,2-trifluoroacetic acid

ethanol;methanamine;2,2,2-trifluoroacetic acid (PubChem CID 175427045) has the molecular formula C5H12F3NO3 and a molecular weight of 191.15 g/mol. Its IUPAC name is ethanol;methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Nameethanol;methanamine;2,2,2-trifluoroacetic acid
PubChem CID175427045
Molecular FormulaC5H12F3NO3
Molecular Weight191.15 g/mol
Exact Mass191.08
IUPAC Nameethanol;methanamine;2,2,2-trifluoroacetic acid
SMILESCCO.CN.O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.C2H6O.CH5N/c3-2(4,5)1(6)7;1-2-3;1-2/h(H,6,7);3H,2H2,1H3;2H2,1H3
InChIKeyHSMLIARTKNZAKW-UHFFFAOYSA-N
XLogP0.21
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze ethanol;methanamine;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

ethanol;N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 175427033
Methanamine;propan-2-ol;2,2,2-trifluoroacetic acid
CID 175427039
2-Aminoethanol;2,2,2-trifluoroacetic acid
CID 13000305
2-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 21903073
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
1-Hydroxyethylazanium;2,2,2-trifluoroacetate
CID 87299528
Azane;ethanol;2,2,2-trifluoroacetic acid
CID 162541701
1-Aminoethanol;2,2,2-trifluoroacetic acid
CID 171926606
Azanium;ethanol;2,2,2-trifluoroacetate
CID 172825717
N-propoxymethanamine;2,2,2-trifluoroacetic acid
CID 175742656
Ethane;methanamine;2,2,2-trifluoroacetic acid
CID 178697219

Frequently Asked Questions

What is the IUPAC name of ethanol;methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of ethanol;methanamine;2,2,2-trifluoroacetic acid (CID 175427045) is ethanol;methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for ethanol;methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for ethanol;methanamine;2,2,2-trifluoroacetic acid is CCO.CN.O=C(O)C(F)(F)F.
What is the InChIKey of ethanol;methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is HSMLIARTKNZAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.C2H6O.CH5N/c3-2(4,5)1(6)7;1-2-3;1-2/h(H,6,7);3H,2H2,1H3;2H2,1H3.
What are the key properties of ethanol;methanamine;2,2,2-trifluoroacetic acid?
ethanol;methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 191.15 g/mol, XLogP of 0.21, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175427045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).