1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid

C11H20FNO3 — CID 122395585

IUPAC1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
SMILESCC1(C)CC(C(=O)O)CC(C)(C)N1OCF
InChIInChI=1S/C11H20FNO3/c1-10(2)5-8(9(14)15)6-11(3,4)13(10)16-7-12/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyRZRGMDGFWOJGET-UHFFFAOYSA-N
MW233.28 g/mol
LogP2.20
Rot. Bonds3

About 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid

1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid (PubChem CID 122395585) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
PubChem CID122395585
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Name1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid
SMILESCC1(C)CC(C(=O)O)CC(C)(C)N1OCF
InChIInChI=1S/C11H20FNO3/c1-10(2)5-8(9(14)15)6-11(3,4)13(10)16-7-12/h8H,5-7H2,1-4H3,(H,14,15)
InChIKeyRZRGMDGFWOJGET-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid (CID 122395585) is 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid is CC1(C)CC(C(=O)O)CC(C)(C)N1OCF.
What is the InChIKey of 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid?
The InChIKey is RZRGMDGFWOJGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-10(2)5-8(9(14)15)6-11(3,4)13(10)16-7-12/h8H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid?
1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid has a molecular weight of 233.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2,2,6,6-tetramethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 122395585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).