1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol

C7H11F2NO3S — CID 167810526

IUPAC1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol
SMILESC=CS(=O)(=O)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C7H11F2NO3S/c1-2-14(12,13)10-4-3-6(11)7(8,9)5-10/h2,6,11H,1,3-5H2
InChIKeyDACOOQWVAOIPQD-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.16
Rot. Bonds2

About 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol

1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol (PubChem CID 167810526) has the molecular formula C7H11F2NO3S and a molecular weight of 227.23 g/mol. Its IUPAC name is 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol.

Molecular Properties

Compound Name1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol
PubChem CID167810526
Molecular FormulaC7H11F2NO3S
Molecular Weight227.23 g/mol
Exact Mass227.04
IUPAC Name1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol
SMILESC=CS(=O)(=O)N1CCC(O)C(F)(F)C1
InChIInChI=1S/C7H11F2NO3S/c1-2-14(12,13)10-4-3-6(11)7(8,9)5-10/h2,6,11H,1,3-5H2
InChIKeyDACOOQWVAOIPQD-UHFFFAOYSA-N
XLogP0.16
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol?
The IUPAC name of 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol (CID 167810526) is 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol.
What is the SMILES notation for 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol?
The canonical SMILES for 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol is C=CS(=O)(=O)N1CCC(O)C(F)(F)C1.
What is the InChIKey of 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol?
The InChIKey is DACOOQWVAOIPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO3S/c1-2-14(12,13)10-4-3-6(11)7(8,9)5-10/h2,6,11H,1,3-5H2.
What are the key properties of 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol?
1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol has a molecular weight of 227.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylsulfonyl-3,3-difluoropiperidin-4-ol is sourced from PubChem (CID 167810526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).