[4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine

C6H9F3N4S — CID 105313849

IUPAC[4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C6H9F3N4S/c7-6(8,9)2-1-4(11-10)5-3-14-13-12-5/h3-4,11H,1-2,10H2
InChIKeyGFPPPBGZGPZMMG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.38
Rot. Bonds4

About [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine

[4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine (PubChem CID 105313849) has the molecular formula C6H9F3N4S and a molecular weight of 226.23 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine
PubChem CID105313849
Molecular FormulaC6H9F3N4S
Molecular Weight226.23 g/mol
Exact Mass226.05
IUPAC Name[4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine
SMILESNNC(CCC(F)(F)F)c1csnn1
InChIInChI=1S/C6H9F3N4S/c7-6(8,9)2-1-4(11-10)5-3-14-13-12-5/h3-4,11H,1-2,10H2
InChIKeyGFPPPBGZGPZMMG-UHFFFAOYSA-N
XLogP1.38
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine (CID 105313849) is [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine is NNC(CCC(F)(F)F)c1csnn1.
What is the InChIKey of [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine?
The InChIKey is GFPPPBGZGPZMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4S/c7-6(8,9)2-1-4(11-10)5-3-14-13-12-5/h3-4,11H,1-2,10H2.
What are the key properties of [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine?
[4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine has a molecular weight of 226.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(thiadiazol-4-yl)butyl]hydrazine is sourced from PubChem (CID 105313849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).