2,2-difluoro-3-methylsulfanylpropanehydrazide

C4H8F2N2OS — CID 165462078

IUPAC2,2-difluoro-3-methylsulfanylpropanehydrazide
SMILESCSCC(F)(F)C(=O)NN
InChIInChI=1S/C4H8F2N2OS/c1-10-2-4(5,6)3(9)8-7/h2,7H2,1H3,(H,8,9)
InChIKeyRHAGPPBUCISJQG-UHFFFAOYSA-N
MW170.18 g/mol
LogP-0.03
Rot. Bonds3

About 2,2-difluoro-3-methylsulfanylpropanehydrazide

2,2-difluoro-3-methylsulfanylpropanehydrazide (PubChem CID 165462078) has the molecular formula C4H8F2N2OS and a molecular weight of 170.18 g/mol. Its IUPAC name is 2,2-difluoro-3-methylsulfanylpropanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-methylsulfanylpropanehydrazide
PubChem CID165462078
Molecular FormulaC4H8F2N2OS
Molecular Weight170.18 g/mol
Exact Mass170.03
IUPAC Name2,2-difluoro-3-methylsulfanylpropanehydrazide
SMILESCSCC(F)(F)C(=O)NN
InChIInChI=1S/C4H8F2N2OS/c1-10-2-4(5,6)3(9)8-7/h2,7H2,1H3,(H,8,9)
InChIKeyRHAGPPBUCISJQG-UHFFFAOYSA-N
XLogP-0.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-0.03
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 2,2-difluoro-3-methylsulfanylpropanehydrazide?
The IUPAC name of 2,2-difluoro-3-methylsulfanylpropanehydrazide (CID 165462078) is 2,2-difluoro-3-methylsulfanylpropanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-methylsulfanylpropanehydrazide?
The canonical SMILES for 2,2-difluoro-3-methylsulfanylpropanehydrazide is CSCC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-3-methylsulfanylpropanehydrazide?
The InChIKey is RHAGPPBUCISJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F2N2OS/c1-10-2-4(5,6)3(9)8-7/h2,7H2,1H3,(H,8,9).
What are the key properties of 2,2-difluoro-3-methylsulfanylpropanehydrazide?
2,2-difluoro-3-methylsulfanylpropanehydrazide has a molecular weight of 170.18 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methylsulfanylpropanehydrazide is sourced from PubChem (CID 165462078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).