2,2,2-trifluoroethylazaniumylideneazanide

C2H3F3N2 — CID 140583214

IUPAC2,2,2-trifluoroethylazaniumylideneazanide
SMILES[N-]=[NH+]CC(F)(F)F
InChIInChI=1S/C2H3F3N2/c3-2(4,5)1-7-6/h7H,1H2
InChIKeyYBBLJECWJZJDLU-UHFFFAOYSA-N
MW112.05 g/mol
LogP-0.35
Rot. Bonds1

About 2,2,2-trifluoroethylazaniumylideneazanide

2,2,2-trifluoroethylazaniumylideneazanide (PubChem CID 140583214) has the molecular formula C2H3F3N2 and a molecular weight of 112.05 g/mol. Its IUPAC name is 2,2,2-trifluoroethylazaniumylideneazanide.

Molecular Properties

Compound Name2,2,2-trifluoroethylazaniumylideneazanide
PubChem CID140583214
Molecular FormulaC2H3F3N2
Molecular Weight112.05 g/mol
Exact Mass112.02
IUPAC Name2,2,2-trifluoroethylazaniumylideneazanide
SMILES[N-]=[NH+]CC(F)(F)F
InChIInChI=1S/C2H3F3N2/c3-2(4,5)1-7-6/h7H,1H2
InChIKeyYBBLJECWJZJDLU-UHFFFAOYSA-N
XLogP-0.35
TPSA36.27 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.05
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylazaniumylideneazanide?
The IUPAC name of 2,2,2-trifluoroethylazaniumylideneazanide (CID 140583214) is 2,2,2-trifluoroethylazaniumylideneazanide.
What is the SMILES notation for 2,2,2-trifluoroethylazaniumylideneazanide?
The canonical SMILES for 2,2,2-trifluoroethylazaniumylideneazanide is [N-]=[NH+]CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethylazaniumylideneazanide?
The InChIKey is YBBLJECWJZJDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3F3N2/c3-2(4,5)1-7-6/h7H,1H2.
What are the key properties of 2,2,2-trifluoroethylazaniumylideneazanide?
2,2,2-trifluoroethylazaniumylideneazanide has a molecular weight of 112.05 g/mol, XLogP of -0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylazaniumylideneazanide is sourced from PubChem (CID 140583214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).