2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide

C4H3F9N2O2S — CID 13171223

IUPAC2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide
SMILESNC(=O)C(F)(F)C(F)(F)C(=O)NS(F)(F)(F)(F)F
InChIInChI=1S/C4H3F9N2O2S/c5-3(6,1(14)16)4(7,8)2(17)15-18(9,10,11,12)13/h(H2,14,16)(H,15,17)
InChIKeySFEJNYUSBNKRTH-UHFFFAOYSA-N
MW314.13 g/mol
LogP2.07
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide

2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide (PubChem CID 13171223) has the molecular formula C4H3F9N2O2S and a molecular weight of 314.13 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide
PubChem CID13171223
Molecular FormulaC4H3F9N2O2S
Molecular Weight314.13 g/mol
Exact Mass313.98
IUPAC Name2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide
SMILESNC(=O)C(F)(F)C(F)(F)C(=O)NS(F)(F)(F)(F)F
InChIInChI=1S/C4H3F9N2O2S/c5-3(6,1(14)16)4(7,8)2(17)15-18(9,10,11,12)13/h(H2,14,16)(H,15,17)
InChIKeySFEJNYUSBNKRTH-UHFFFAOYSA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.13
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide (CID 13171223) is 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide is NC(=O)C(F)(F)C(F)(F)C(=O)NS(F)(F)(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide?
The InChIKey is SFEJNYUSBNKRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F9N2O2S/c5-3(6,1(14)16)4(7,8)2(17)15-18(9,10,11,12)13/h(H2,14,16)(H,15,17).
What are the key properties of 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide?
2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide has a molecular weight of 314.13 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N'-(pentafluoro-lambda6-sulfanyl)butanediamide is sourced from PubChem (CID 13171223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).