1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine

C8H11F6NO2S — CID 88916710

IUPAC1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H11F6NO2S/c1-6(9,10)7(11,12)8(13,14)18(16,17)15-4-2-3-5-15/h2-5H2,1H3
InChIKeyWBSHVACSSSMERJ-UHFFFAOYSA-N
MW299.24 g/mol
LogP2.30
Rot. Bonds4

About 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine

1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine (PubChem CID 88916710) has the molecular formula C8H11F6NO2S and a molecular weight of 299.24 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine
PubChem CID88916710
Molecular FormulaC8H11F6NO2S
Molecular Weight299.24 g/mol
Exact Mass299.04
IUPAC Name1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine
SMILESCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C8H11F6NO2S/c1-6(9,10)7(11,12)8(13,14)18(16,17)15-4-2-3-5-15/h2-5H2,1H3
InChIKeyWBSHVACSSSMERJ-UHFFFAOYSA-N
XLogP2.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 52.30
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

1-Methyl-1-propylpyrrolidinium trifluoromethanesulfonate
CID 60196396
1-Butyl-1-methylpyrrolidinium triflate
CID 12195864
1-Ethyl-1-methylpyrrolidinium trifluoromethanesulfonate
CID 60196393
N,N-Diethyl Perfluorobutane Sulfonamide
CID 19813947
Dimethylpyrrolidinium trifluoromethane sulfonate
CID 22020309
1-[(Trifluoromethyl)sulfonyl]pyrrolidine
CID 53837543
1-Butyl-1-methylpyrrolidinium bis(pentafluoroethylsulfonyl)amide
CID 141281435
1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-N-propylbutane-1-sulfonamide
CID 21278226
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700
1-(1,1-Difluoroethylsulfonyl)pyrrolidine
CID 58122743
N,N-dibutyl-1,1-difluoroethanesulfonamide
CID 58122764
1-(Difluoromethylsulfonyl)pyrrolidine
CID 58435998

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine (CID 88916710) is 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine?
The InChIKey is WBSHVACSSSMERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6NO2S/c1-6(9,10)7(11,12)8(13,14)18(16,17)15-4-2-3-5-15/h2-5H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine?
1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine has a molecular weight of 299.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluorobutylsulfonyl)pyrrolidine is sourced from PubChem (CID 88916710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).