2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol

C10H18F3NO3S — CID 71916120

IUPAC2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
SMILESCCCS(=O)(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO3S/c1-2-7-18(16,17)14-5-3-8(4-6-14)9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyPZQVHEFSNYCRAK-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.36
Rot. Bonds4

About 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol

2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol (PubChem CID 71916120) has the molecular formula C10H18F3NO3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
PubChem CID71916120
Molecular FormulaC10H18F3NO3S
Molecular Weight289.32 g/mol
Exact Mass289.10
IUPAC Name2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol
SMILESCCCS(=O)(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO3S/c1-2-7-18(16,17)14-5-3-8(4-6-14)9(15)10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyPZQVHEFSNYCRAK-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.36
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-(1-propylsulfonylpiperidin-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol (CID 71916120) is 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol is CCCS(=O)(=O)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
The InChIKey is PZQVHEFSNYCRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3S/c1-2-7-18(16,17)14-5-3-8(4-6-14)9(15)10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol?
2,2,2-trifluoro-1-(1-propylsulfonylpiperidin-4-yl)ethanol has a molecular weight of 289.32 g/mol, XLogP of 1.36, 4 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-(1-propylsulfonylpiperidin-4-yl)ethanol is sourced from PubChem (CID 71916120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).