2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid

C11H19F2NO3 — CID 139341887

IUPAC2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid
SMILESCC(C)(C)N1CCC(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)14-5-4-8(11(12,13)7-14)17-6-9(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyTXLFWJCNPAEQMS-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid

2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid (PubChem CID 139341887) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid
PubChem CID139341887
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid
SMILESCC(C)(C)N1CCC(OCC(=O)O)C(F)(F)C1
InChIInChI=1S/C11H19F2NO3/c1-10(2,3)14-5-4-8(11(12,13)7-14)17-6-9(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyTXLFWJCNPAEQMS-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid (CID 139341887) is 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid is CC(C)(C)N1CCC(OCC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid?
The InChIKey is TXLFWJCNPAEQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-10(2,3)14-5-4-8(11(12,13)7-14)17-6-9(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid?
2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid has a molecular weight of 251.27 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butyl-3,3-difluoropiperidin-4-yl)oxyacetic acid is sourced from PubChem (CID 139341887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).