N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide

C8H11F4NO3S — CID 113251069

IUPACN-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC1CCCS(=O)(=O)C1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO3S/c9-6(10)8(11,12)7(14)13-5-2-1-3-17(15,16)4-5/h5-6H,1-4H2,(H,13,14)
InChIKeyPLPYGGBGHOHXFT-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.58
Rot. Bonds3

About N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide

N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 113251069) has the molecular formula C8H11F4NO3S and a molecular weight of 277.24 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID113251069
Molecular FormulaC8H11F4NO3S
Molecular Weight277.24 g/mol
Exact Mass277.04
IUPAC NameN-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NC1CCCS(=O)(=O)C1)C(F)(F)C(F)F
InChIInChI=1S/C8H11F4NO3S/c9-6(10)8(11,12)7(14)13-5-2-1-3-17(15,16)4-5/h5-6H,1-4H2,(H,13,14)
InChIKeyPLPYGGBGHOHXFT-UHFFFAOYSA-N
XLogP0.58
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide (CID 113251069) is N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide is O=C(NC1CCCS(=O)(=O)C1)C(F)(F)C(F)F.
What is the InChIKey of N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is PLPYGGBGHOHXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F4NO3S/c9-6(10)8(11,12)7(14)13-5-2-1-3-17(15,16)4-5/h5-6H,1-4H2,(H,13,14).
What are the key properties of N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide?
N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 277.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113251069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).