3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine

C8H15F2NO2S — CID 170176059

IUPAC3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-6(2)14(12,13)11-4-3-7(5-11)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyPLVVPVWAVWHARG-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.31
Rot. Bonds3

About 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine

3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine (PubChem CID 170176059) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
PubChem CID170176059
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine
SMILESCC(C)S(=O)(=O)N1CCC(C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-6(2)14(12,13)11-4-3-7(5-11)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyPLVVPVWAVWHARG-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
The IUPAC name of 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine (CID 170176059) is 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine.
What is the SMILES notation for 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
The canonical SMILES for 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine is CC(C)S(=O)(=O)N1CCC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
The InChIKey is PLVVPVWAVWHARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-6(2)14(12,13)11-4-3-7(5-11)8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine?
3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine has a molecular weight of 227.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propan-2-ylsulfonylpyrrolidine is sourced from PubChem (CID 170176059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).