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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Related Compounds

ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
CID 83212988
4-(1,1,2-trifluoroethoxymethyl)piperidine
CID 155821754
4-[(2-methylpropan-2-yl)oxymethyl]piperidine;hydrate
CID 144530470
2-(cyclopropylmethoxy)-2,2-difluoroacetohydrazide
CID 63574525
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
piperidin-4-ylmethyl piperidine-4-carboxylate
CID 162440838
(3S)-pyrrolidin-3-amine;2,2,2-trifluoroacetic acid
CID 172762354
N-(cyclopropylmethyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
CID 155407853
piperidin-4-ylmethyl 2,2-dimethylbutanoate
CID 59513098
4-(2,2,2-trifluoroethoxymethoxymethyl)piperidine
CID 106937702
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
4-[2-(4-fluorophenyl)ethyl]piperidine;2,2,2-trifluoroacetic acid
CID 134366951

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).