2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide

C4H4F6NO2S- — CID 59713179

IUPAC2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
SMILESO=S(=O)([N-]CCF)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F6NO2S/c5-1-2-11-14(12,13)4(9,10)3(6,7)8/h1-2H2/q-1
InChIKeyUIHRQWCOLAHCFY-UHFFFAOYSA-N
MW244.14 g/mol
LogP1.81
Rot. Bonds4

About 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide

2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide (PubChem CID 59713179) has the molecular formula C4H4F6NO2S- and a molecular weight of 244.14 g/mol. Its IUPAC name is 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide.

Molecular Properties

Compound Name2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
PubChem CID59713179
Molecular FormulaC4H4F6NO2S-
Molecular Weight244.14 g/mol
Exact Mass243.99
IUPAC Name2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide
SMILESO=S(=O)([N-]CCF)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H4F6NO2S/c5-1-2-11-14(12,13)4(9,10)3(6,7)8/h1-2H2/q-1
InChIKeyUIHRQWCOLAHCFY-UHFFFAOYSA-N
XLogP1.81
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.14
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2,2,2-Trifluoroethyl(trifluoromethylsulfonyl)azanide
CID 58427683
1,1,2,2,2-pentafluoro-N-(2-fluoroethyl)ethanesulfonamide
CID 59713180
Lithium 3-fluoropropyl(1,1,2,2,3,3,4-heptafluorobutylsulfonyl)azanide
CID 59940140
N-ethyl-N,1,1,2,2,3,3,4,4,4-decafluorobutane-1-sulfonamide
CID 91213921
1,1,2,2,3,3-Hexafluorobutylsulfonyl(methyl)azanide
CID 164102765
N-ethyl-1,1,2,2,2-pentafluoro-N-(trifluoromethylsulfinyl)ethanesulfonamide
CID 170273180

Frequently Asked Questions

What is the IUPAC name of 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
The IUPAC name of 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide (CID 59713179) is 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide.
What is the SMILES notation for 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
The canonical SMILES for 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide is O=S(=O)([N-]CCF)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
The InChIKey is UIHRQWCOLAHCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6NO2S/c5-1-2-11-14(12,13)4(9,10)3(6,7)8/h1-2H2/q-1.
What are the key properties of 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide?
2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide has a molecular weight of 244.14 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl(1,1,2,2,2-pentafluoroethylsulfonyl)azanide is sourced from PubChem (CID 59713179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).