[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine

C6H6F6N4OS — CID 102723055

IUPAC[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N4OS/c7-5(8,9)4(6(10,11)12)17-1-2-3(14-13)18-16-15-2/h4,14H,1,13H2
InChIKeyKOOOHVXHSQFFEX-UHFFFAOYSA-N
MW296.20 g/mol
LogP1.83
Rot. Bonds4

About [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine

[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 102723055) has the molecular formula C6H6F6N4OS and a molecular weight of 296.20 g/mol. Its IUPAC name is [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID102723055
Molecular FormulaC6H6F6N4OS
Molecular Weight296.20 g/mol
Exact Mass296.02
IUPAC Name[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F6N4OS/c7-5(8,9)4(6(10,11)12)17-1-2-3(14-13)18-16-15-2/h4,14H,1,13H2
InChIKeyKOOOHVXHSQFFEX-UHFFFAOYSA-N
XLogP1.83
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.20
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]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 [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine (CID 102723055) is [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine is NNc1snnc1COC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is KOOOHVXHSQFFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6N4OS/c7-5(8,9)4(6(10,11)12)17-1-2-3(14-13)18-16-15-2/h4,14H,1,13H2.
What are the key properties of [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine?
[4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 296.20 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 102723055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).