[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol

C6H11F2NO3S — CID 130650545

IUPAC[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(C(F)F)N1CC[C@@H](CO)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-2-1-5(3-9)4-10/h5-6,10H,1-4H2/t5-/m1/s1
InChIKeyXAVDYGUPKKXCNC-RXMQYKEDSA-N
MW215.22 g/mol
LogP-0.15
Rot. Bonds3

About [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol

[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 130650545) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID130650545
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(C(F)F)N1CC[C@@H](CO)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-2-1-5(3-9)4-10/h5-6,10H,1-4H2/t5-/m1/s1
InChIKeyXAVDYGUPKKXCNC-RXMQYKEDSA-N
XLogP-0.15
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-Methanesulfonylpyrrolidin-3-yl)methanol
CID 62370439
(3-Fluoro-1-(methylsulfonyl)pyrrolidin-3-yl)methanol
CID 131106940
[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62370819
[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]methanol
CID 62372919
[1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol
CID 83059844
1-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627552
1-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 112627598
2-[1-(Trifluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 114799314
2-[1-(Difluoromethylsulfonyl)pyrrolidin-3-yl]ethanol
CID 115744903
[1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-3-yl]methanol
CID 127006329
(1-Ethylsulfonyl-3-fluoropyrrolidin-3-yl)methanol
CID 128290349
1-(Difluoromethylsulfonyl)-4-methylpyrrolidin-3-ol
CID 130694886

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol (CID 130650545) is [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(C(F)F)N1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is XAVDYGUPKKXCNC-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-2-1-5(3-9)4-10/h5-6,10H,1-4H2/t5-/m1/s1.
What are the key properties of [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
[(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 215.22 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 130650545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).