1-(difluoromethylsulfonyl)-3-ethylpyrrolidine

C7H13F2NO2S — CID 130620853

IUPAC1-(difluoromethylsulfonyl)-3-ethylpyrrolidine
SMILESCCC1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO2S/c1-2-6-3-4-10(5-6)13(11,12)7(8)9/h6-7H,2-5H2,1H3
InChIKeyRYUZMXAGFQIUBK-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.27
Rot. Bonds3

About 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine

1-(difluoromethylsulfonyl)-3-ethylpyrrolidine (PubChem CID 130620853) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)-3-ethylpyrrolidine
PubChem CID130620853
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC Name1-(difluoromethylsulfonyl)-3-ethylpyrrolidine
SMILESCCC1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C7H13F2NO2S/c1-2-6-3-4-10(5-6)13(11,12)7(8)9/h6-7H,2-5H2,1H3
InChIKeyRYUZMXAGFQIUBK-UHFFFAOYSA-N
XLogP1.27
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methyl-1-(trifluoromethyl)sulfonyl-pyrrolidine
CID 68090720
(S)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276436
(S)-3-ethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276437
(R)-3-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276441
(3R,4R)-3,4-dimethyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276442
(R)-3-isopropyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276443
(3R,4R)-3-ethyl-4-methyl-1-((trifluoromethyl)sulfonyl)pyrrolidine
CID 86276444
3,3-Difluoro-1-methylsulfonylpyrrolidine
CID 57578700
1-Methylsulfonyl-4-(trifluoromethyl)piperidine
CID 65545889
3-Propan-2-yl-1-(trifluoromethylsulfonyl)pyrrolidine
CID 68071497
3-(Fluoromethyl)-4-methyl-1-methylsulfonylpyrrolidine
CID 68350341
N-(2-ethylbutyl)-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 88872623

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine?
The IUPAC name of 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine (CID 130620853) is 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine is CCC1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine?
The InChIKey is RYUZMXAGFQIUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-2-6-3-4-10(5-6)13(11,12)7(8)9/h6-7H,2-5H2,1H3.
What are the key properties of 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine?
1-(difluoromethylsulfonyl)-3-ethylpyrrolidine has a molecular weight of 213.25 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)-3-ethylpyrrolidine is sourced from PubChem (CID 130620853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).