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

C6H7F5N4OS — CID 80614712

IUPAC[5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C6H7F5N4OS/c7-5(8,6(9,10)11)2-16-1-3-14-15-4(13-12)17-3/h1-2,12H2,(H,13,15)
InChIKeyFRIBBPURBQVCIQ-UHFFFAOYSA-N
MW278.21 g/mol
LogP1.54
Rot. Bonds5

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

[5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80614712) has the molecular formula C6H7F5N4OS and a molecular weight of 278.21 g/mol. Its IUPAC name is [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80614712
Molecular FormulaC6H7F5N4OS
Molecular Weight278.21 g/mol
Exact Mass278.03
IUPAC Name[5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine
SMILESNNc1nnc(COCC(F)(F)C(F)(F)F)s1
InChIInChI=1S/C6H7F5N4OS/c7-5(8,6(9,10)11)2-16-1-3-14-15-4(13-12)17-3/h1-2,12H2,(H,13,15)
InChIKeyFRIBBPURBQVCIQ-UHFFFAOYSA-N
XLogP1.54
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 51.54
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-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine (CID 80614712) is [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is NNc1nnc(COCC(F)(F)C(F)(F)F)s1.
What is the InChIKey of [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is FRIBBPURBQVCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5N4OS/c7-5(8,6(9,10)11)2-16-1-3-14-15-4(13-12)17-3/h1-2,12H2,(H,13,15).
What are the key properties of [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine?
[5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 278.21 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,2,3,3,3-pentafluoropropoxymethyl)-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80614712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).