1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide

C5H6F5NO2S — CID 129294989

IUPAC1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide
SMILESC=CCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8/h2,11H,1,3H2
InChIKeyQRDJXMKAMBKNJB-UHFFFAOYSA-N
MW239.16 g/mol
LogP1.25
Rot. Bonds4

About 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide

1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide (PubChem CID 129294989) has the molecular formula C5H6F5NO2S and a molecular weight of 239.16 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide
PubChem CID129294989
Molecular FormulaC5H6F5NO2S
Molecular Weight239.16 g/mol
Exact Mass239.00
IUPAC Name1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide
SMILESC=CCNS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H6F5NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8/h2,11H,1,3H2
InChIKeyQRDJXMKAMBKNJB-UHFFFAOYSA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide (CID 129294989) is 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide is C=CCNS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide?
The InChIKey is QRDJXMKAMBKNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO2S/c1-2-3-11-14(12,13)5(9,10)4(6,7)8/h2,11H,1,3H2.
What are the key properties of 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide has a molecular weight of 239.16 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,2-pentafluoro-N-prop-2-enylethanesulfonamide is sourced from PubChem (CID 129294989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).