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

C5H5F8NO3S2 — CID 170273180

IUPACN-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide
SMILESCCN(S(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F8NO3S2/c1-2-14(18(15)5(11,12)13)19(16,17)4(9,10)3(6,7)8/h2H2,1H3
InChIKeyJWHROTBTRYAEDO-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.98
Rot. Bonds4

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

N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide (PubChem CID 170273180) has the molecular formula C5H5F8NO3S2 and a molecular weight of 343.22 g/mol. Its IUPAC name is N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide.

Molecular Properties

Compound NameN-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide
PubChem CID170273180
Molecular FormulaC5H5F8NO3S2
Molecular Weight343.22 g/mol
Exact Mass342.96
IUPAC NameN-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide
SMILESCCN(S(=O)C(F)(F)F)S(=O)(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F8NO3S2/c1-2-14(18(15)5(11,12)13)19(16,17)4(9,10)3(6,7)8/h2H2,1H3
InChIKeyJWHROTBTRYAEDO-UHFFFAOYSA-N
XLogP1.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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
N-bromo-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 11761307
N-ethyl-N-methyl-1,1,2,2,2-pentafluoro-ethanesulfonamide
CID 102441606
N-chloro-N-ethyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 134928622
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)-N-methylethanesulfonamide
CID 57711940
1,1,2,2,2-Pentafluoroethylsulfonyl(2,2,3,3,3-pentafluoropropyl)azanide
CID 57935454
N-ethyl-1,1,2,2,2-pentafluoro-N-(1,1,2,2,2-pentafluoroethylsulfonyl)ethanesulfonamide
CID 58152789
2-Fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
CID 59713179
1,1,2-trifluoro-N-methyl-N-(trifluoromethylsulfonyl)ethanesulfonamide
CID 88582497
1,1,1-trifluoro-N-propyl-N-(trifluoromethylsulfonyl)methanesulfonamide
CID 88977018
N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 91213921
1,1,2-trifluoro-N-methyl-N-(1,1,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 123797305

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide?
The IUPAC name of N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide (CID 170273180) is N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide.
What is the SMILES notation for N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide?
The canonical SMILES for N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide is CCN(S(=O)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-(trifluoromethylsulfinyl)ethanesulfonamide?
The InChIKey is JWHROTBTRYAEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F8NO3S2/c1-2-14(18(15)5(11,12)13)19(16,17)4(9,10)3(6,7)8/h2H2,1H3.
What are the key properties of N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide?
N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide has a molecular weight of 343.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide is sourced from PubChem (CID 170273180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).