1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide

C4HF10NO2S — CID 87689258

IUPAC1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide
SMILESO=S(=O)(NC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF10NO2S/c5-1(6,7)3(11,12)15-18(16,17)4(13,14)2(8,9)10/h15H
InChIKeyUZDZNWGEPPYMEV-UHFFFAOYSA-N
MW317.10 g/mol
LogP2.22
Rot. Bonds3

About 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide

1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide (PubChem CID 87689258) has the molecular formula C4HF10NO2S and a molecular weight of 317.10 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide
PubChem CID87689258
Molecular FormulaC4HF10NO2S
Molecular Weight317.10 g/mol
Exact Mass316.96
IUPAC Name1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide
SMILESO=S(=O)(NC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4HF10NO2S/c5-1(6,7)3(11,12)15-18(16,17)4(13,14)2(8,9)10/h15H
InChIKeyUZDZNWGEPPYMEV-UHFFFAOYSA-N
XLogP2.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide (CID 87689258) is 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide is O=S(=O)(NC(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide?
The InChIKey is UZDZNWGEPPYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HF10NO2S/c5-1(6,7)3(11,12)15-18(16,17)4(13,14)2(8,9)10/h15H.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide has a molecular weight of 317.10 g/mol, XLogP of 2.22, 3 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-(1,1,2,2,2-pentafluoroethyl)ethanesulfonamide is sourced from PubChem (CID 87689258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).