4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione

C7H9F2NO2S — CID 162551678

IUPAC4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione
SMILESCSCN1C(=O)CC(F)(F)CC1=O
InChIInChI=1S/C7H9F2NO2S/c1-13-4-10-5(11)2-7(8,9)3-6(10)12/h2-4H2,1H3
InChIKeyHSBNPCWXCJHSII-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.09
Rot. Bonds2

About 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione

4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione (PubChem CID 162551678) has the molecular formula C7H9F2NO2S and a molecular weight of 209.22 g/mol. Its IUPAC name is 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione
PubChem CID162551678
Molecular FormulaC7H9F2NO2S
Molecular Weight209.22 g/mol
Exact Mass209.03
IUPAC Name4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione
SMILESCSCN1C(=O)CC(F)(F)CC1=O
InChIInChI=1S/C7H9F2NO2S/c1-13-4-10-5(11)2-7(8,9)3-6(10)12/h2-4H2,1H3
InChIKeyHSBNPCWXCJHSII-UHFFFAOYSA-N
XLogP1.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione?
The IUPAC name of 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione (CID 162551678) is 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione.
What is the SMILES notation for 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione?
The canonical SMILES for 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione is CSCN1C(=O)CC(F)(F)CC1=O.
What is the InChIKey of 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione?
The InChIKey is HSBNPCWXCJHSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2S/c1-13-4-10-5(11)2-7(8,9)3-6(10)12/h2-4H2,1H3.
What are the key properties of 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione?
4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione has a molecular weight of 209.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(methylsulfanylmethyl)piperidine-2,6-dione is sourced from PubChem (CID 162551678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).