1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine

C9H11F8NO2S — CID 88916714

IUPAC1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H11F8NO2S/c1-6(10,11)7(12,13)8(14,15)9(16,17)21(19,20)18-4-2-3-5-18/h2-5H2,1H3
InChIKeyHMYREIYLSQBCQA-UHFFFAOYSA-N
MW349.24 g/mol
LogP2.93
Rot. Bonds5

About 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine

1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine (PubChem CID 88916714) has the molecular formula C9H11F8NO2S and a molecular weight of 349.24 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine
PubChem CID88916714
Molecular FormulaC9H11F8NO2S
Molecular Weight349.24 g/mol
Exact Mass349.04
IUPAC Name1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine
SMILESCC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC1
InChIInChI=1S/C9H11F8NO2S/c1-6(10,11)7(12,13)8(14,15)9(16,17)21(19,20)18-4-2-3-5-18/h2-5H2,1H3
InChIKeyHMYREIYLSQBCQA-UHFFFAOYSA-N
XLogP2.93
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine?
The IUPAC name of 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine (CID 88916714) is 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine is CC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine?
The InChIKey is HMYREIYLSQBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F8NO2S/c1-6(10,11)7(12,13)8(14,15)9(16,17)21(19,20)18-4-2-3-5-18/h2-5H2,1H3.
What are the key properties of 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine?
1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine has a molecular weight of 349.24 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4-octafluoropentylsulfonyl)pyrrolidine is sourced from PubChem (CID 88916714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).