[(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium

C6H10F3N2O2+ — CID 22896129

IUPAC[(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium
SMILES[H]/[O+]=C(/C/C(=N/N)C(F)(F)F)OCC
InChIInChI=1S/C6H9F3N2O2/c1-2-13-5(12)3-4(11-10)6(7,8)9/h2-3,10H2,1H3/p+1/b11-4-
InChIKeyQZXRGPGAOUGFPH-WCIBSUBMSA-O
MW199.15 g/mol
LogP0.79
Rot. Bonds3

About [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium

[(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium (PubChem CID 22896129) has the molecular formula C6H10F3N2O2+ and a molecular weight of 199.15 g/mol. Its IUPAC name is [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium.

Molecular Properties

Compound Name[(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium
PubChem CID22896129
Molecular FormulaC6H10F3N2O2+
Molecular Weight199.15 g/mol
Exact Mass199.07
IUPAC Name[(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium
SMILES[H]/[O+]=C(/C/C(=N/N)C(F)(F)F)OCC
InChIInChI=1S/C6H9F3N2O2/c1-2-13-5(12)3-4(11-10)6(7,8)9/h2-3,10H2,1H3/p+1/b11-4-
InChIKeyQZXRGPGAOUGFPH-WCIBSUBMSA-O
XLogP0.79
TPSA69.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium?
The IUPAC name of [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium (CID 22896129) is [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium.
What is the SMILES notation for [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium?
The canonical SMILES for [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium is [H]/[O+]=C(/C/C(=N/N)C(F)(F)F)OCC.
What is the InChIKey of [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium?
The InChIKey is QZXRGPGAOUGFPH-WCIBSUBMSA-O. The full InChI is InChI=1S/C6H9F3N2O2/c1-2-13-5(12)3-4(11-10)6(7,8)9/h2-3,10H2,1H3/p+1/b11-4-.
What are the key properties of [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium?
[(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium has a molecular weight of 199.15 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-1-ethoxy-4,4,4-trifluoro-3-hydrazinylidenebutylidene]oxidanium is sourced from PubChem (CID 22896129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).