2-(trifluoromethylsulfanyl)propanehydrazide

C4H7F3N2OS — CID 130668581

IUPAC2-(trifluoromethylsulfanyl)propanehydrazide
SMILESCC(SC(F)(F)F)C(=O)NN
InChIInChI=1S/C4H7F3N2OS/c1-2(3(10)9-8)11-4(5,6)7/h2H,8H2,1H3,(H,9,10)
InChIKeyBENDRQBQPLRQLP-UHFFFAOYSA-N
MW188.17 g/mol
LogP0.62
Rot. Bonds2

About 2-(trifluoromethylsulfanyl)propanehydrazide

2-(trifluoromethylsulfanyl)propanehydrazide (PubChem CID 130668581) has the molecular formula C4H7F3N2OS and a molecular weight of 188.17 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanyl)propanehydrazide.

Molecular Properties

Compound Name2-(trifluoromethylsulfanyl)propanehydrazide
PubChem CID130668581
Molecular FormulaC4H7F3N2OS
Molecular Weight188.17 g/mol
Exact Mass188.02
IUPAC Name2-(trifluoromethylsulfanyl)propanehydrazide
SMILESCC(SC(F)(F)F)C(=O)NN
InChIInChI=1S/C4H7F3N2OS/c1-2(3(10)9-8)11-4(5,6)7/h2H,8H2,1H3,(H,9,10)
InChIKeyBENDRQBQPLRQLP-UHFFFAOYSA-N
XLogP0.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', '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 2-(trifluoromethylsulfanyl)propanehydrazide?
The IUPAC name of 2-(trifluoromethylsulfanyl)propanehydrazide (CID 130668581) is 2-(trifluoromethylsulfanyl)propanehydrazide.
What is the SMILES notation for 2-(trifluoromethylsulfanyl)propanehydrazide?
The canonical SMILES for 2-(trifluoromethylsulfanyl)propanehydrazide is CC(SC(F)(F)F)C(=O)NN.
What is the InChIKey of 2-(trifluoromethylsulfanyl)propanehydrazide?
The InChIKey is BENDRQBQPLRQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2OS/c1-2(3(10)9-8)11-4(5,6)7/h2H,8H2,1H3,(H,9,10).
What are the key properties of 2-(trifluoromethylsulfanyl)propanehydrazide?
2-(trifluoromethylsulfanyl)propanehydrazide has a molecular weight of 188.17 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanyl)propanehydrazide is sourced from PubChem (CID 130668581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).