N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide

C5H4F5NO3S — CID 164845132

IUPACN-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5NO3S/c1-2-3(12)11-15(13,14)5(9,10)4(6,7)8/h2H,1H2,(H,11,12)
InChIKeyZSBKUXMJFQMNFJ-UHFFFAOYSA-N
MW253.15 g/mol
LogP0.77
Rot. Bonds3

About N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide

N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide (PubChem CID 164845132) has the molecular formula C5H4F5NO3S and a molecular weight of 253.15 g/mol. Its IUPAC name is N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide
PubChem CID164845132
Molecular FormulaC5H4F5NO3S
Molecular Weight253.15 g/mol
Exact Mass252.98
IUPAC NameN-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide
SMILESC=CC(=O)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H4F5NO3S/c1-2-3(12)11-15(13,14)5(9,10)4(6,7)8/h2H,1H2,(H,11,12)
InChIKeyZSBKUXMJFQMNFJ-UHFFFAOYSA-N
XLogP0.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide?
The IUPAC name of N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide (CID 164845132) is N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide.
What is the SMILES notation for N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide?
The canonical SMILES for N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide is C=CC(=O)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide?
The InChIKey is ZSBKUXMJFQMNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F5NO3S/c1-2-3(12)11-15(13,14)5(9,10)4(6,7)8/h2H,1H2,(H,11,12).
What are the key properties of N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide?
N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide has a molecular weight of 253.15 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,2-pentafluoroethylsulfonyl)prop-2-enamide is sourced from PubChem (CID 164845132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).