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

C6H11F2NO3S — CID 62370819

IUPAC[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(C(F)F)N1CCC(CO)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-2-1-5(3-9)4-10/h5-6,10H,1-4H2
InChIKeyXAVDYGUPKKXCNC-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.15
Rot. Bonds3

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

[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 62370819) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID62370819
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name[1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(C(F)F)N1CCC(CO)C1
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-2-1-5(3-9)4-10/h5-6,10H,1-4H2
InChIKeyXAVDYGUPKKXCNC-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol (CID 62370819) is [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(C(F)F)N1CCC(CO)C1.
What is the InChIKey of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is XAVDYGUPKKXCNC-UHFFFAOYSA-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.
What are the key properties of [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol?
[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 [1-(difluoromethylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 62370819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).