2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol

C11H19F2NO3S — CID 79548913

IUPAC2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO=S(=O)(C(F)F)N1CCCC1C1CCCCC1O
InChIInChI=1S/C11H19F2NO3S/c12-11(13)18(16,17)14-7-3-5-9(14)8-4-1-2-6-10(8)15/h8-11,15H,1-7H2
InChIKeyZIMZQXKOWBWLEC-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.55
Rot. Bonds3

About 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 79548913) has the molecular formula C11H19F2NO3S and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID79548913
Molecular FormulaC11H19F2NO3S
Molecular Weight283.34 g/mol
Exact Mass283.11
IUPAC Name2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESO=S(=O)(C(F)F)N1CCCC1C1CCCCC1O
InChIInChI=1S/C11H19F2NO3S/c12-11(13)18(16,17)14-7-3-5-9(14)8-4-1-2-6-10(8)15/h8-11,15H,1-7H2
InChIKeyZIMZQXKOWBWLEC-UHFFFAOYSA-N
XLogP1.55
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 79548913) is 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol is O=S(=O)(C(F)F)N1CCCC1C1CCCCC1O.
What is the InChIKey of 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is ZIMZQXKOWBWLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3S/c12-11(13)18(16,17)14-7-3-5-9(14)8-4-1-2-6-10(8)15/h8-11,15H,1-7H2.
What are the key properties of 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 283.34 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethylsulfonyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 79548913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).