2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid

C8H13F2NO3 — CID 83212985

IUPAC2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid
SMILESO=C(O)C(F)(F)OCC1CCNCC1
InChIInChI=1S/C8H13F2NO3/c9-8(10,7(12)13)14-5-6-1-3-11-4-2-6/h6,11H,1-5H2,(H,12,13)
InChIKeyTXYGZRIIJBPTEN-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.68
Rot. Bonds4

About 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid

2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid (PubChem CID 83212985) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid
PubChem CID83212985
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid
SMILESO=C(O)C(F)(F)OCC1CCNCC1
InChIInChI=1S/C8H13F2NO3/c9-8(10,7(12)13)14-5-6-1-3-11-4-2-6/h6,11H,1-5H2,(H,12,13)
InChIKeyTXYGZRIIJBPTEN-UHFFFAOYSA-N
XLogP0.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid?
The IUPAC name of 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid (CID 83212985) is 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid is O=C(O)C(F)(F)OCC1CCNCC1.
What is the InChIKey of 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid?
The InChIKey is TXYGZRIIJBPTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c9-8(10,7(12)13)14-5-6-1-3-11-4-2-6/h6,11H,1-5H2,(H,12,13).
What are the key properties of 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid?
2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid has a molecular weight of 209.19 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetic acid is sourced from PubChem (CID 83212985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).