N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide

C6H5F10NO4S2 — CID 58152789

IUPACN-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESCCN(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F10NO4S2/c1-2-17(22(18,19)5(13,14)3(7,8)9)23(20,21)6(15,16)4(10,11)12/h2H2,1H3
InChIKeyHZGKBPMBBRICPL-UHFFFAOYSA-N
MW409.22 g/mol
LogP2.28
Rot. Bonds5

About N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide

N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide (PubChem CID 58152789) has the molecular formula C6H5F10NO4S2 and a molecular weight of 409.22 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
PubChem CID58152789
Molecular FormulaC6H5F10NO4S2
Molecular Weight409.22 g/mol
Exact Mass408.95
IUPAC NameN-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
SMILESCCN(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H5F10NO4S2/c1-2-17(22(18,19)5(13,14)3(7,8)9)23(20,21)6(15,16)4(10,11)12/h2H2,1H3
InChIKeyHZGKBPMBBRICPL-UHFFFAOYSA-N
XLogP2.28
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.22
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1,1,1-trifluoro-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 58152795
2,2,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 312737
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)-N-methylethanesulfonamide
CID 57711940
1,1,2,2,2-pentafluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 58152787
Bis(1,1-difluoroethylsulfonyl)azanide
CID 58312164
2-Fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 59713179
1,1,2,2-Tetrafluoro-2-[methyl(1,1,2,2-tetrafluoroethylsulfonyl)sulfamoyl]ethanesulfonic acid
CID 88487531
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 88582497
1,1,1-trifluoro-N-propyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 88977018
2,2,2-trifluoro-N-methyl-N-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 89888334
N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 91213921
1,1,2,2,3-pentafluoro-N-(fluoromethylsulfonyl)-N-methylpropane-1-sulfonamide
CID 123766494

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide (CID 58152789) is N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide is CCN(S(=O)(=O)C(F)(F)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
The InChIKey is HZGKBPMBBRICPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F10NO4S2/c1-2-17(22(18,19)5(13,14)3(7,8)9)23(20,21)6(15,16)4(10,11)12/h2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide?
N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide has a molecular weight of 409.22 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide is sourced from PubChem (CID 58152789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).