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

C4H5F6NO2S — CID 59713180

IUPAC1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide
SMILESO=S(=O)(NCCF)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-1-2-11-14(12,13)4(9,10)3(6,7)8/h11H,1-2H2
InChIKeyKFRMPAHTEVKLDK-UHFFFAOYSA-N
MW245.14 g/mol
LogP1.03
Rot. Bonds4

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

1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide (PubChem CID 59713180) has the molecular formula C4H5F6NO2S and a molecular weight of 245.14 g/mol. Its IUPAC name is 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide
PubChem CID59713180
Molecular FormulaC4H5F6NO2S
Molecular Weight245.14 g/mol
Exact Mass244.99
IUPAC Name1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide
SMILESO=S(=O)(NCCF)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H5F6NO2S/c5-1-2-11-14(12,13)4(9,10)3(6,7)8/h11H,1-2H2
InChIKeyKFRMPAHTEVKLDK-UHFFFAOYSA-N
XLogP1.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.14
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide?
The IUPAC name of 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide (CID 59713180) is 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide.
What is the SMILES notation for 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide?
The canonical SMILES for 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide is O=S(=O)(NCCF)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide?
The InChIKey is KFRMPAHTEVKLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F6NO2S/c5-1-2-11-14(12,13)4(9,10)3(6,7)8/h11H,1-2H2.
What are the key properties of 1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide?
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide has a molecular weight of 245.14 g/mol, XLogP of 1.03, 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-(2-fluoroethyl)ethanesulfonamide is sourced from PubChem (CID 59713180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).