(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate

C11H20FNO3 — CID 145196217

IUPAC(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate
SMILESCC1(C)CC(OC(=O)CF)CC(C)(C)N1O
InChIInChI=1S/C11H20FNO3/c1-10(2)5-8(16-9(14)7-12)6-11(3,4)13(10)15/h8,15H,5-7H2,1-4H3
InChIKeyQWNULPZATOXYTF-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.91
Rot. Bonds2

About (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate

(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate (PubChem CID 145196217) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate.

Molecular Properties

Compound Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate
PubChem CID145196217
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate
SMILESCC1(C)CC(OC(=O)CF)CC(C)(C)N1O
InChIInChI=1S/C11H20FNO3/c1-10(2)5-8(16-9(14)7-12)6-11(3,4)13(10)15/h8,15H,5-7H2,1-4H3
InChIKeyQWNULPZATOXYTF-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate?
The IUPAC name of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate (CID 145196217) is (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate.
What is the SMILES notation for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate?
The canonical SMILES for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate is CC1(C)CC(OC(=O)CF)CC(C)(C)N1O.
What is the InChIKey of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate?
The InChIKey is QWNULPZATOXYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-10(2)5-8(16-9(14)7-12)6-11(3,4)13(10)15/h8,15H,5-7H2,1-4H3.
What are the key properties of (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate?
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate has a molecular weight of 233.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-fluoroacetate is sourced from PubChem (CID 145196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).