(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol

C5H9F2NO4S — CID 79410108

IUPAC(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(C(F)F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C5H9F2NO4S/c6-5(7)13(11,12)8-1-3(9)4(10)2-8/h3-5,9-10H,1-2H2/t3-,4+
InChIKeyFGYHTIMRPCCOLM-ZXZARUISSA-N
MW217.19 g/mol
LogP-1.42
Rot. Bonds2

About (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol

(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol (PubChem CID 79410108) has the molecular formula C5H9F2NO4S and a molecular weight of 217.19 g/mol. Its IUPAC name is (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol
PubChem CID79410108
Molecular FormulaC5H9F2NO4S
Molecular Weight217.19 g/mol
Exact Mass217.02
IUPAC Name(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol
SMILESO=S(=O)(C(F)F)N1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C5H9F2NO4S/c6-5(7)13(11,12)8-1-3(9)4(10)2-8/h3-5,9-10H,1-2H2/t3-,4+
InChIKeyFGYHTIMRPCCOLM-ZXZARUISSA-N
XLogP-1.42
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol?
The IUPAC name of (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol (CID 79410108) is (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol is O=S(=O)(C(F)F)N1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol?
The InChIKey is FGYHTIMRPCCOLM-ZXZARUISSA-N. The full InChI is InChI=1S/C5H9F2NO4S/c6-5(7)13(11,12)8-1-3(9)4(10)2-8/h3-5,9-10H,1-2H2/t3-,4+.
What are the key properties of (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol?
(3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol has a molecular weight of 217.19 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-(difluoromethylsulfonyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 79410108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).