methanimine;2,2,2-trifluoroacetic acid

C3H4F3NO2 — CID 87715622

IUPACmethanimine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]N=C
InChIInChI=1S/C2HF3O2.CH3N/c3-2(4,5)1(6)7;1-2/h(H,6,7);2H,1H2
InChIKeyOFHGUOIADHCXIX-UHFFFAOYSA-N
MW143.06 g/mol
LogP0.90
Rot. Bonds

About methanimine;2,2,2-trifluoroacetic acid

methanimine;2,2,2-trifluoroacetic acid (PubChem CID 87715622) has the molecular formula C3H4F3NO2 and a molecular weight of 143.06 g/mol. Its IUPAC name is methanimine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethanimine;2,2,2-trifluoroacetic acid
PubChem CID87715622
Molecular FormulaC3H4F3NO2
Molecular Weight143.06 g/mol
Exact Mass143.02
IUPAC Namemethanimine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.[H]N=C
InChIInChI=1S/C2HF3O2.CH3N/c3-2(4,5)1(6)7;1-2/h(H,6,7);2H,1H2
InChIKeyOFHGUOIADHCXIX-UHFFFAOYSA-N
XLogP0.90
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.06
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethenone;2,2,2-trifluoroacetic acid
CID 158998620
azane;tris(2,2,2-trifluoroacetic acid)
CID 175976837
erbium;tris(2,2,2-trifluoroacetic acid)
CID 118855690
azane;pentakis(2,2,2-trifluoroacetic acid)
CID 174693543
2,2,2-trifluoroacetic acid;trihydrofluoride
CID 171927516
CID 85392225
CID 85392225
sulfanium 2,2,2-trifluoroacetic acid
CID 158048002
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506

Frequently Asked Questions

What is the IUPAC name of methanimine;2,2,2-trifluoroacetic acid?
The IUPAC name of methanimine;2,2,2-trifluoroacetic acid (CID 87715622) is methanimine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methanimine;2,2,2-trifluoroacetic acid?
The canonical SMILES for methanimine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.[H]N=C.
What is the InChIKey of methanimine;2,2,2-trifluoroacetic acid?
The InChIKey is OFHGUOIADHCXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HF3O2.CH3N/c3-2(4,5)1(6)7;1-2/h(H,6,7);2H,1H2.
What are the key properties of methanimine;2,2,2-trifluoroacetic acid?
methanimine;2,2,2-trifluoroacetic acid has a molecular weight of 143.06 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanimine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87715622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).