1-(difluoromethylsulfonyl)pyrrolidine

C5H9F2NO2S — CID 58435998

IUPAC1-(difluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(C(F)F)N1CCCC1
InChIInChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)8-3-1-2-4-8/h5H,1-4H2
InChIKeyDMLOJJFUIFYHFT-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.63
Rot. Bonds2

About 1-(difluoromethylsulfonyl)pyrrolidine

1-(difluoromethylsulfonyl)pyrrolidine (PubChem CID 58435998) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)pyrrolidine
PubChem CID58435998
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC Name1-(difluoromethylsulfonyl)pyrrolidine
SMILESO=S(=O)(C(F)F)N1CCCC1
InChIInChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)8-3-1-2-4-8/h5H,1-4H2
InChIKeyDMLOJJFUIFYHFT-UHFFFAOYSA-N
XLogP0.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)pyrrolidine?
The IUPAC name of 1-(difluoromethylsulfonyl)pyrrolidine (CID 58435998) is 1-(difluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for 1-(difluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for 1-(difluoromethylsulfonyl)pyrrolidine is O=S(=O)(C(F)F)N1CCCC1.
What is the InChIKey of 1-(difluoromethylsulfonyl)pyrrolidine?
The InChIKey is DMLOJJFUIFYHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)8-3-1-2-4-8/h5H,1-4H2.
What are the key properties of 1-(difluoromethylsulfonyl)pyrrolidine?
1-(difluoromethylsulfonyl)pyrrolidine has a molecular weight of 185.19 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 58435998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).