[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine

C8H11F3N4O — CID 82794301

IUPAC[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine
SMILESNNc1cncc(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)2-1-3-16-7-5-13-4-6(14-7)15-12/h4-5H,1-3,12H2,(H,14,15)
InChIKeyHPIGJUWCMMZMCH-UHFFFAOYSA-N
MW236.20 g/mol
LogP1.48
Rot. Bonds5

About [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine

[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine (PubChem CID 82794301) has the molecular formula C8H11F3N4O and a molecular weight of 236.20 g/mol. Its IUPAC name is [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine
PubChem CID82794301
Molecular FormulaC8H11F3N4O
Molecular Weight236.20 g/mol
Exact Mass236.09
IUPAC Name[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine
SMILESNNc1cncc(OCCCC(F)(F)F)n1
InChIInChI=1S/C8H11F3N4O/c9-8(10,11)2-1-3-16-7-5-13-4-6(14-7)15-12/h4-5H,1-3,12H2,(H,14,15)
InChIKeyHPIGJUWCMMZMCH-UHFFFAOYSA-N
XLogP1.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine?
The IUPAC name of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine (CID 82794301) is [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine.
What is the SMILES notation for [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine?
The canonical SMILES for [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine is NNc1cncc(OCCCC(F)(F)F)n1.
What is the InChIKey of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine?
The InChIKey is HPIGJUWCMMZMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4O/c9-8(10,11)2-1-3-16-7-5-13-4-6(14-7)15-12/h4-5H,1-3,12H2,(H,14,15).
What are the key properties of [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine?
[6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine has a molecular weight of 236.20 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4,4,4-trifluorobutoxy)pyrazin-2-yl]hydrazine is sourced from PubChem (CID 82794301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).