2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol

C8H13F4NO3S — CID 67402461

IUPAC2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol
SMILESCS(=O)(=O)N1CCC(F)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F4NO3S/c1-17(15,16)13-4-2-7(9,3-5-13)6(14)8(10,11)12/h6,14H,2-5H2,1H3
InChIKeyYBYYUCKHERXXIS-UHFFFAOYSA-N
MW279.25 g/mol
LogP0.67
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol

2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol (PubChem CID 67402461) has the molecular formula C8H13F4NO3S and a molecular weight of 279.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol
PubChem CID67402461
Molecular FormulaC8H13F4NO3S
Molecular Weight279.25 g/mol
Exact Mass279.06
IUPAC Name2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol
SMILESCS(=O)(=O)N1CCC(F)(C(O)C(F)(F)F)CC1
InChIInChI=1S/C8H13F4NO3S/c1-17(15,16)13-4-2-7(9,3-5-13)6(14)8(10,11)12/h6,14H,2-5H2,1H3
InChIKeyYBYYUCKHERXXIS-UHFFFAOYSA-N
XLogP0.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol (CID 67402461) is 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol is CS(=O)(=O)N1CCC(F)(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol?
The InChIKey is YBYYUCKHERXXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO3S/c1-17(15,16)13-4-2-7(9,3-5-13)6(14)8(10,11)12/h6,14H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol?
2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol has a molecular weight of 279.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-fluoro-1-methylsulfonylpiperidin-4-yl)ethanol is sourced from PubChem (CID 67402461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).