diaminomethylideneazanium;2,2,2-trifluoroacetic acid

C3H7F3N3O2+ — CID 159933368

IUPACdiaminomethylideneazanium;2,2,2-trifluoroacetic acid
SMILESNC(N)=[NH2+].O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.CH5N3/c3-2(4,5)1(6)7;2-1(3)4/h(H,6,7);(H5,2,3,4)/p+1
InChIKeyNZXRFGHWGPEIEZ-UHFFFAOYSA-O
MW174.10 g/mol
LogP-2.35
Rot. Bonds

About diaminomethylideneazanium;2,2,2-trifluoroacetic acid

diaminomethylideneazanium;2,2,2-trifluoroacetic acid (PubChem CID 159933368) has the molecular formula C3H7F3N3O2+ and a molecular weight of 174.10 g/mol. Its IUPAC name is diaminomethylideneazanium;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namediaminomethylideneazanium;2,2,2-trifluoroacetic acid
PubChem CID159933368
Molecular FormulaC3H7F3N3O2+
Molecular Weight174.10 g/mol
Exact Mass174.05
IUPAC Namediaminomethylideneazanium;2,2,2-trifluoroacetic acid
SMILESNC(N)=[NH2+].O=C(O)C(F)(F)F
InChIInChI=1S/C2HF3O2.CH5N3/c3-2(4,5)1(6)7;2-1(3)4/h(H,6,7);(H5,2,3,4)/p+1
InChIKeyNZXRFGHWGPEIEZ-UHFFFAOYSA-O
XLogP-2.35
TPSA114.93 Ų
H-Bond Donors4
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.10
LogP ≤ 5-2.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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
guanidine;2,2,2-trifluoroacetic acid;hydrochloride
CID 18698242
CID 159010746
CID 159010746
magnesium;hydride;tris(2,2,2-trifluoroacetic acid)
CID 173424393
magnesium;hydride;bis(2,2,2-trifluoroacetic acid)
CID 173420344
bis(oxygen(2-));titanium(4+);2,2,2-trifluoroacetic acid
CID 157338255
copper;2,2,2-trifluoroacetic acid;tetrahydrate
CID 175128506

Frequently Asked Questions

What is the IUPAC name of diaminomethylideneazanium;2,2,2-trifluoroacetic acid?
The IUPAC name of diaminomethylideneazanium;2,2,2-trifluoroacetic acid (CID 159933368) is diaminomethylideneazanium;2,2,2-trifluoroacetic acid.
What is the SMILES notation for diaminomethylideneazanium;2,2,2-trifluoroacetic acid?
The canonical SMILES for diaminomethylideneazanium;2,2,2-trifluoroacetic acid is NC(N)=[NH2+].O=C(O)C(F)(F)F.
What is the InChIKey of diaminomethylideneazanium;2,2,2-trifluoroacetic acid?
The InChIKey is NZXRFGHWGPEIEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C2HF3O2.CH5N3/c3-2(4,5)1(6)7;2-1(3)4/h(H,6,7);(H5,2,3,4)/p+1.
What are the key properties of diaminomethylideneazanium;2,2,2-trifluoroacetic acid?
diaminomethylideneazanium;2,2,2-trifluoroacetic acid has a molecular weight of 174.10 g/mol, XLogP of -2.35, 0 rotatable bonds, 4 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diaminomethylideneazanium;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 159933368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).