[4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine

C7H11F3N4OS — CID 82793200

IUPAC[4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COCCCC(F)(F)F
InChIInChI=1S/C7H11F3N4OS/c8-7(9,10)2-1-3-15-4-5-6(12-11)16-14-13-5/h12H,1-4,11H2
InChIKeyZZKZNILWOZNVRU-UHFFFAOYSA-N
MW256.25 g/mol
LogP1.68
Rot. Bonds6

About [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine

[4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine (PubChem CID 82793200) has the molecular formula C7H11F3N4OS and a molecular weight of 256.25 g/mol. Its IUPAC name is [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine.

Molecular Properties

Compound Name[4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine
PubChem CID82793200
Molecular FormulaC7H11F3N4OS
Molecular Weight256.25 g/mol
Exact Mass256.06
IUPAC Name[4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine
SMILESNNc1snnc1COCCCC(F)(F)F
InChIInChI=1S/C7H11F3N4OS/c8-7(9,10)2-1-3-15-4-5-6(12-11)16-14-13-5/h12H,1-4,11H2
InChIKeyZZKZNILWOZNVRU-UHFFFAOYSA-N
XLogP1.68
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine?
The IUPAC name of [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine (CID 82793200) is [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine.
What is the SMILES notation for [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine?
The canonical SMILES for [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine is NNc1snnc1COCCCC(F)(F)F.
What is the InChIKey of [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine?
The InChIKey is ZZKZNILWOZNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4OS/c8-7(9,10)2-1-3-15-4-5-6(12-11)16-14-13-5/h12H,1-4,11H2.
What are the key properties of [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine?
[4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine has a molecular weight of 256.25 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4,4-trifluorobutoxymethyl)thiadiazol-5-yl]hydrazine is sourced from PubChem (CID 82793200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).