1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide

C5H8F5NO2S — CID 129294807

IUPAC1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-3(2)11-14(12,13)5(9,10)4(6,7)8/h3,11H,1-2H3
InChIKeySNVSZMQOPIUJFY-UHFFFAOYSA-N
MW241.18 g/mol
LogP1.47
Rot. Bonds3

About 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide

1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide (PubChem CID 129294807) has the molecular formula C5H8F5NO2S and a molecular weight of 241.18 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide
PubChem CID129294807
Molecular FormulaC5H8F5NO2S
Molecular Weight241.18 g/mol
Exact Mass241.02
IUPAC Name1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide
SMILESCC(C)NS(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H8F5NO2S/c1-3(2)11-14(12,13)5(9,10)4(6,7)8/h3,11H,1-2H3
InChIKeySNVSZMQOPIUJFY-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide (CID 129294807) is 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide is CC(C)NS(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide?
The InChIKey is SNVSZMQOPIUJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5NO2S/c1-3(2)11-14(12,13)5(9,10)4(6,7)8/h3,11H,1-2H3.
What are the key properties of 1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide?
1,1,2,2,2-pentafluoro-N-propan-2-ylethanesulfonamide has a molecular weight of 241.18 g/mol, XLogP of 1.47, 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-propan-2-ylethanesulfonamide is sourced from PubChem (CID 129294807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).