[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine

C8H15F3N4O — CID 5221568

IUPAC[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine
SMILESCC1(C)COC(NN)(C(F)(F)F)CC1=NN
InChIInChI=1S/C8H15F3N4O/c1-6(2)4-16-7(15-13,8(9,10)11)3-5(6)14-12/h15H,3-4,12-13H2,1-2H3
InChIKeyTXEJUMYLNCHJQX-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.47
Rot. Bonds1

About [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine

[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine (PubChem CID 5221568) has the molecular formula C8H15F3N4O and a molecular weight of 240.23 g/mol. Its IUPAC name is [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine.

Molecular Properties

Compound Name[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine
PubChem CID5221568
Molecular FormulaC8H15F3N4O
Molecular Weight240.23 g/mol
Exact Mass240.12
IUPAC Name[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine
SMILESCC1(C)COC(NN)(C(F)(F)F)CC1=NN
InChIInChI=1S/C8H15F3N4O/c1-6(2)4-16-7(15-13,8(9,10)11)3-5(6)14-12/h15H,3-4,12-13H2,1-2H3
InChIKeyTXEJUMYLNCHJQX-UHFFFAOYSA-N
XLogP0.47
TPSA85.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine?
The IUPAC name of [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine (CID 5221568) is [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine.
What is the SMILES notation for [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine?
The canonical SMILES for [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine is CC1(C)COC(NN)(C(F)(F)F)CC1=NN.
What is the InChIKey of [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine?
The InChIKey is TXEJUMYLNCHJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O/c1-6(2)4-16-7(15-13,8(9,10)11)3-5(6)14-12/h15H,3-4,12-13H2,1-2H3.
What are the key properties of [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine?
[2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine has a molecular weight of 240.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydrazinyl-5,5-dimethyl-2-(trifluoromethyl)oxan-4-ylidene]hydrazine is sourced from PubChem (CID 5221568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).