1-(difluoromethylsulfonyl)pyrrolidin-3-ol

C5H9F2NO3S — CID 62917981

IUPAC1-(difluoromethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(C(F)F)N1CCC(O)C1
InChIInChI=1S/C5H9F2NO3S/c6-5(7)12(10,11)8-2-1-4(9)3-8/h4-5,9H,1-3H2
InChIKeyAOJPROQRBRGLLT-UHFFFAOYSA-N
MW201.19 g/mol
LogP-0.39
Rot. Bonds2

About 1-(difluoromethylsulfonyl)pyrrolidin-3-ol

1-(difluoromethylsulfonyl)pyrrolidin-3-ol (PubChem CID 62917981) has the molecular formula C5H9F2NO3S and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-(difluoromethylsulfonyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(difluoromethylsulfonyl)pyrrolidin-3-ol
PubChem CID62917981
Molecular FormulaC5H9F2NO3S
Molecular Weight201.19 g/mol
Exact Mass201.03
IUPAC Name1-(difluoromethylsulfonyl)pyrrolidin-3-ol
SMILESO=S(=O)(C(F)F)N1CCC(O)C1
InChIInChI=1S/C5H9F2NO3S/c6-5(7)12(10,11)8-2-1-4(9)3-8/h4-5,9H,1-3H2
InChIKeyAOJPROQRBRGLLT-UHFFFAOYSA-N
XLogP-0.39
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
The IUPAC name of 1-(difluoromethylsulfonyl)pyrrolidin-3-ol (CID 62917981) is 1-(difluoromethylsulfonyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(difluoromethylsulfonyl)pyrrolidin-3-ol is O=S(=O)(C(F)F)N1CCC(O)C1.
What is the InChIKey of 1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
The InChIKey is AOJPROQRBRGLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO3S/c6-5(7)12(10,11)8-2-1-4(9)3-8/h4-5,9H,1-3H2.
What are the key properties of 1-(difluoromethylsulfonyl)pyrrolidin-3-ol?
1-(difluoromethylsulfonyl)pyrrolidin-3-ol has a molecular weight of 201.19 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethylsulfonyl)pyrrolidin-3-ol is sourced from PubChem (CID 62917981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).