(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine

C8H15F2NO2S — CID 176666128

IUPAC(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
SMILESCC[C@H]1CN(S(=O)(=O)C(F)F)CC1C
InChIInChI=1S/C8H15F2NO2S/c1-3-7-5-11(4-6(7)2)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyGLNKEAXHPYSGLK-MLWJPKLSSA-N
MW227.28 g/mol
LogP1.52
Rot. Bonds3

About (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine

(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine (PubChem CID 176666128) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
PubChem CID176666128
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine
SMILESCC[C@H]1CN(S(=O)(=O)C(F)F)CC1C
InChIInChI=1S/C8H15F2NO2S/c1-3-7-5-11(4-6(7)2)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3/t6?,7-/m0/s1
InChIKeyGLNKEAXHPYSGLK-MLWJPKLSSA-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 (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine?
The IUPAC name of (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine (CID 176666128) is (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine.
What is the SMILES notation for (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine?
The canonical SMILES for (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine is CC[C@H]1CN(S(=O)(=O)C(F)F)CC1C.
What is the InChIKey of (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine?
The InChIKey is GLNKEAXHPYSGLK-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-3-7-5-11(4-6(7)2)14(12,13)8(9)10/h6-8H,3-5H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine?
(3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine 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 (3R)-1-(difluoromethylsulfonyl)-3-ethyl-4-methylpyrrolidine is sourced from PubChem (CID 176666128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).