1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol

C9H17F2NO3S — CID 79536457

IUPAC1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C9H17F2NO3S/c1-7(13)6-8-4-2-3-5-12(8)16(14,15)9(10)11/h7-9,13H,2-6H2,1H3
InChIKeyCLJGXLLLLJEJOU-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.16
Rot. Bonds4

About 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol

1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol (PubChem CID 79536457) has the molecular formula C9H17F2NO3S and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol
PubChem CID79536457
Molecular FormulaC9H17F2NO3S
Molecular Weight257.30 g/mol
Exact Mass257.09
IUPAC Name1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C9H17F2NO3S/c1-7(13)6-8-4-2-3-5-12(8)16(14,15)9(10)11/h7-9,13H,2-6H2,1H3
InChIKeyCLJGXLLLLJEJOU-UHFFFAOYSA-N
XLogP1.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol (CID 79536457) is 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol is CC(O)CC1CCCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol?
The InChIKey is CLJGXLLLLJEJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO3S/c1-7(13)6-8-4-2-3-5-12(8)16(14,15)9(10)11/h7-9,13H,2-6H2,1H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol?
1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol has a molecular weight of 257.30 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]propan-2-ol is sourced from PubChem (CID 79536457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).