1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine

C8H15F2NO2S — CID 176666018

IUPAC1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-6(2)7-3-4-11(5-7)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyHUFDMFFKEUJYGV-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.52
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine

1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine (PubChem CID 176666018) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine
PubChem CID176666018
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-6(2)7-3-4-11(5-7)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyHUFDMFFKEUJYGV-UHFFFAOYSA-N
XLogP1.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine (CID 176666018) is 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine is CC(C)C1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine?
The InChIKey is HUFDMFFKEUJYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-6(2)7-3-4-11(5-7)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine?
1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine has a molecular weight of 227.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 176666018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).