3-ethylsulfanyl-2,2-difluoropropanehydrazide

C5H10F2N2OS — CID 165466723

IUPAC3-ethylsulfanyl-2,2-difluoropropanehydrazide
SMILESCCSCC(F)(F)C(=O)NN
InChIInChI=1S/C5H10F2N2OS/c1-2-11-3-5(6,7)4(10)9-8/h2-3,8H2,1H3,(H,9,10)
InChIKeyWKXFBYYKFORLAI-UHFFFAOYSA-N
MW184.21 g/mol
LogP0.36
Rot. Bonds4

About 3-ethylsulfanyl-2,2-difluoropropanehydrazide

3-ethylsulfanyl-2,2-difluoropropanehydrazide (PubChem CID 165466723) has the molecular formula C5H10F2N2OS and a molecular weight of 184.21 g/mol. Its IUPAC name is 3-ethylsulfanyl-2,2-difluoropropanehydrazide.

Molecular Properties

Compound Name3-ethylsulfanyl-2,2-difluoropropanehydrazide
PubChem CID165466723
Molecular FormulaC5H10F2N2OS
Molecular Weight184.21 g/mol
Exact Mass184.05
IUPAC Name3-ethylsulfanyl-2,2-difluoropropanehydrazide
SMILESCCSCC(F)(F)C(=O)NN
InChIInChI=1S/C5H10F2N2OS/c1-2-11-3-5(6,7)4(10)9-8/h2-3,8H2,1H3,(H,9,10)
InChIKeyWKXFBYYKFORLAI-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.36
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 3-ethylsulfanyl-2,2-difluoropropanehydrazide?
The IUPAC name of 3-ethylsulfanyl-2,2-difluoropropanehydrazide (CID 165466723) is 3-ethylsulfanyl-2,2-difluoropropanehydrazide.
What is the SMILES notation for 3-ethylsulfanyl-2,2-difluoropropanehydrazide?
The canonical SMILES for 3-ethylsulfanyl-2,2-difluoropropanehydrazide is CCSCC(F)(F)C(=O)NN.
What is the InChIKey of 3-ethylsulfanyl-2,2-difluoropropanehydrazide?
The InChIKey is WKXFBYYKFORLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2OS/c1-2-11-3-5(6,7)4(10)9-8/h2-3,8H2,1H3,(H,9,10).
What are the key properties of 3-ethylsulfanyl-2,2-difluoropropanehydrazide?
3-ethylsulfanyl-2,2-difluoropropanehydrazide has a molecular weight of 184.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2,2-difluoropropanehydrazide is sourced from PubChem (CID 165466723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).