methyl 2-(5,5-difluoropiperidin-3-yl)acetate

C8H13F2NO2 — CID 130812659

IUPACmethyl 2-(5,5-difluoropiperidin-3-yl)acetate
SMILESCOC(=O)CC1CNCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-13-7(12)2-6-3-8(9,10)5-11-4-6/h6,11H,2-5H2,1H3
InChIKeySUGXRJHYTSXVGY-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.79
Rot. Bonds2

About methyl 2-(5,5-difluoropiperidin-3-yl)acetate

methyl 2-(5,5-difluoropiperidin-3-yl)acetate (PubChem CID 130812659) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is methyl 2-(5,5-difluoropiperidin-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,5-difluoropiperidin-3-yl)acetate
PubChem CID130812659
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namemethyl 2-(5,5-difluoropiperidin-3-yl)acetate
SMILESCOC(=O)CC1CNCC(F)(F)C1
InChIInChI=1S/C8H13F2NO2/c1-13-7(12)2-6-3-8(9,10)5-11-4-6/h6,11H,2-5H2,1H3
InChIKeySUGXRJHYTSXVGY-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,5-difluoropiperidin-3-yl)acetate?
The IUPAC name of methyl 2-(5,5-difluoropiperidin-3-yl)acetate (CID 130812659) is methyl 2-(5,5-difluoropiperidin-3-yl)acetate.
What is the SMILES notation for methyl 2-(5,5-difluoropiperidin-3-yl)acetate?
The canonical SMILES for methyl 2-(5,5-difluoropiperidin-3-yl)acetate is COC(=O)CC1CNCC(F)(F)C1.
What is the InChIKey of methyl 2-(5,5-difluoropiperidin-3-yl)acetate?
The InChIKey is SUGXRJHYTSXVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-13-7(12)2-6-3-8(9,10)5-11-4-6/h6,11H,2-5H2,1H3.
What are the key properties of methyl 2-(5,5-difluoropiperidin-3-yl)acetate?
methyl 2-(5,5-difluoropiperidin-3-yl)acetate has a molecular weight of 193.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,5-difluoropiperidin-3-yl)acetate is sourced from PubChem (CID 130812659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).