2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide

C6H12F2N2OS — CID 165466724

IUPAC2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide
SMILESCC(C)SCC(F)(F)C(=O)NN
InChIInChI=1S/C6H12F2N2OS/c1-4(2)12-3-6(7,8)5(11)10-9/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyNRFAYMCEJGBBBJ-UHFFFAOYSA-N
MW198.24 g/mol
LogP0.75
Rot. Bonds4

About 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide

2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide (PubChem CID 165466724) has the molecular formula C6H12F2N2OS and a molecular weight of 198.24 g/mol. Its IUPAC name is 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide.

Molecular Properties

Compound Name2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide
PubChem CID165466724
Molecular FormulaC6H12F2N2OS
Molecular Weight198.24 g/mol
Exact Mass198.06
IUPAC Name2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide
SMILESCC(C)SCC(F)(F)C(=O)NN
InChIInChI=1S/C6H12F2N2OS/c1-4(2)12-3-6(7,8)5(11)10-9/h4H,3,9H2,1-2H3,(H,10,11)
InChIKeyNRFAYMCEJGBBBJ-UHFFFAOYSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 50.75
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-propan-2-ylsulfanylpropanehydrazide?
The IUPAC name of 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide (CID 165466724) is 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide.
What is the SMILES notation for 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide?
The canonical SMILES for 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide is CC(C)SCC(F)(F)C(=O)NN.
What is the InChIKey of 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide?
The InChIKey is NRFAYMCEJGBBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2OS/c1-4(2)12-3-6(7,8)5(11)10-9/h4H,3,9H2,1-2H3,(H,10,11).
What are the key properties of 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide?
2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide has a molecular weight of 198.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-propan-2-ylsulfanylpropanehydrazide is sourced from PubChem (CID 165466724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).