ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate

C10H17F2NO3 — CID 83212988

IUPACethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCC1CCNCC1
InChIInChI=1S/C10H17F2NO3/c1-2-15-9(14)10(11,12)16-7-8-3-5-13-6-4-8/h8,13H,2-7H2,1H3
InChIKeyAWEYPKTYHHGMFN-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.16
Rot. Bonds5

About ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate

ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate (PubChem CID 83212988) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
PubChem CID83212988
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Nameethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate
SMILESCCOC(=O)C(F)(F)OCC1CCNCC1
InChIInChI=1S/C10H17F2NO3/c1-2-15-9(14)10(11,12)16-7-8-3-5-13-6-4-8/h8,13H,2-7H2,1H3
InChIKeyAWEYPKTYHHGMFN-UHFFFAOYSA-N
XLogP1.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate (CID 83212988) is ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate is CCOC(=O)C(F)(F)OCC1CCNCC1.
What is the InChIKey of ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate?
The InChIKey is AWEYPKTYHHGMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-2-15-9(14)10(11,12)16-7-8-3-5-13-6-4-8/h8,13H,2-7H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate?
ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate has a molecular weight of 237.25 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(piperidin-4-ylmethoxy)acetate is sourced from PubChem (CID 83212988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).