2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine

C9H16F3NO2S — CID 163429362

IUPAC2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCC1CCC(CC)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-3-7-5-6-8(4-2)13(7)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyAPDMKETVMWPWTL-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.49
Rot. Bonds3

About 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine

2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 163429362) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID163429362
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCCC1CCC(CC)N1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2S/c1-3-7-5-6-8(4-2)13(7)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3
InChIKeyAPDMKETVMWPWTL-UHFFFAOYSA-N
XLogP2.49
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine (CID 163429362) is 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine is CCC1CCC(CC)N1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is APDMKETVMWPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c1-3-7-5-6-8(4-2)13(7)16(14,15)9(10,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine?
2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 259.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 163429362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).