(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine

C8H15F2NO2S — CID 176666132

IUPAC(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine
SMILESCCC[C@@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-2-3-7-4-5-11(6-7)14(12,13)8(9)10/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyVEHNENFAVJKYSX-SSDOTTSWSA-N
MW227.28 g/mol
LogP1.66
Rot. Bonds4

About (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine

(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine (PubChem CID 176666132) has the molecular formula C8H15F2NO2S and a molecular weight of 227.28 g/mol. Its IUPAC name is (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine
PubChem CID176666132
Molecular FormulaC8H15F2NO2S
Molecular Weight227.28 g/mol
Exact Mass227.08
IUPAC Name(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine
SMILESCCC[C@@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C8H15F2NO2S/c1-2-3-7-4-5-11(6-7)14(12,13)8(9)10/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyVEHNENFAVJKYSX-SSDOTTSWSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-3-ethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276437
(R)-3-isopropyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276443
(3R,4R)-3-ethyl-4-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276444
(2R,4S)-2-methyl-4-propyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276450
N,N-bis(2-ethylhexyl)-1,1-difluoromethanesulfonamide
CID 58435992
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
3-Tert-butyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117878026
3-Ethyl-4-(fluoromethyl)-1-methylsulfonylpyrrolidine
CID 117883312
3,4-Di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
CID 121339923
N-(2-ethyl-3-methylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 129153534
1-(Difluoromethylsulfonyl)-3-ethylpyrrolidine
CID 130620853
1-(Difluoromethylsulfonyl)-3-methylpyrrolidine
CID 130739893

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine?
The IUPAC name of (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine (CID 176666132) is (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine.
What is the SMILES notation for (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine?
The canonical SMILES for (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine is CCC[C@@H]1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine?
The InChIKey is VEHNENFAVJKYSX-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2NO2S/c1-2-3-7-4-5-11(6-7)14(12,13)8(9)10/h7-8H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine?
(3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine has a molecular weight of 227.28 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(difluoromethylsulfonyl)-3-propylpyrrolidine is sourced from PubChem (CID 176666132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).