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

C6H8F4N4OS — CID 80614312

IUPAC[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C6H8F4N4OS/c7-4(8)6(9,10)2-15-1-3-13-14-5(12-11)16-3/h4H,1-2,11H2,(H,12,14)
InChIKeyPSDUEHGIQWFAMG-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.24
Rot. Bonds6

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

[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614312) has the molecular formula C6H8F4N4OS and a molecular weight of 260.22 g/mol. Its IUPAC name is [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614312
Molecular FormulaC6H8F4N4OS
Molecular Weight260.22 g/mol
Exact Mass260.04
IUPAC Name[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCC(F)(F)C(F)F)s1
InChIInChI=1S/C6H8F4N4OS/c7-4(8)6(9,10)2-15-1-3-13-14-5(12-11)16-3/h4H,1-2,11H2,(H,12,14)
InChIKeyPSDUEHGIQWFAMG-UHFFFAOYSA-N
XLogP1.24
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.24
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614312) is [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(COCC(F)(F)C(F)F)s1.
What is the InChIKey of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is PSDUEHGIQWFAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4N4OS/c7-4(8)6(9,10)2-15-1-3-13-14-5(12-11)16-3/h4H,1-2,11H2,(H,12,14).
What are the key properties of [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 260.22 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).