[1-(difluoromethylsulfonyl)piperidin-4-yl]methanol

C7H13F2NO3S — CID 60956552

IUPAC[1-(difluoromethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(C(F)F)N1CCC(CO)CC1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)14(12,13)10-3-1-6(5-11)2-4-10/h6-7,11H,1-5H2
InChIKeyCAIRVBRXVVHNNQ-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.24
Rot. Bonds3

About [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol

[1-(difluoromethylsulfonyl)piperidin-4-yl]methanol (PubChem CID 60956552) has the molecular formula C7H13F2NO3S and a molecular weight of 229.25 g/mol. Its IUPAC name is [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(difluoromethylsulfonyl)piperidin-4-yl]methanol
PubChem CID60956552
Molecular FormulaC7H13F2NO3S
Molecular Weight229.25 g/mol
Exact Mass229.06
IUPAC Name[1-(difluoromethylsulfonyl)piperidin-4-yl]methanol
SMILESO=S(=O)(C(F)F)N1CCC(CO)CC1
InChIInChI=1S/C7H13F2NO3S/c8-7(9)14(12,13)10-3-1-6(5-11)2-4-10/h6-7,11H,1-5H2
InChIKeyCAIRVBRXVVHNNQ-UHFFFAOYSA-N
XLogP0.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol (CID 60956552) is [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol is O=S(=O)(C(F)F)N1CCC(CO)CC1.
What is the InChIKey of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol?
The InChIKey is CAIRVBRXVVHNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO3S/c8-7(9)14(12,13)10-3-1-6(5-11)2-4-10/h6-7,11H,1-5H2.
What are the key properties of [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol?
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanol has a molecular weight of 229.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(difluoromethylsulfonyl)piperidin-4-yl]methanol is sourced from PubChem (CID 60956552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).