2,2-difluoropropyl 2-piperidin-1-ylacetate

C10H17F2NO2 — CID 58341578

IUPAC2,2-difluoropropyl 2-piperidin-1-ylacetate
SMILESCC(F)(F)COC(=O)CN1CCCCC1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)8-15-9(14)7-13-5-3-2-4-6-13/h2-8H2,1H3
InChIKeyYBJYSKKPFKLGMO-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.67
Rot. Bonds4

About 2,2-difluoropropyl 2-piperidin-1-ylacetate

2,2-difluoropropyl 2-piperidin-1-ylacetate (PubChem CID 58341578) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 2,2-difluoropropyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name2,2-difluoropropyl 2-piperidin-1-ylacetate
PubChem CID58341578
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name2,2-difluoropropyl 2-piperidin-1-ylacetate
SMILESCC(F)(F)COC(=O)CN1CCCCC1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)8-15-9(14)7-13-5-3-2-4-6-13/h2-8H2,1H3
InChIKeyYBJYSKKPFKLGMO-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropyl 2-piperidin-1-ylacetate?
The IUPAC name of 2,2-difluoropropyl 2-piperidin-1-ylacetate (CID 58341578) is 2,2-difluoropropyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 2,2-difluoropropyl 2-piperidin-1-ylacetate?
The canonical SMILES for 2,2-difluoropropyl 2-piperidin-1-ylacetate is CC(F)(F)COC(=O)CN1CCCCC1.
What is the InChIKey of 2,2-difluoropropyl 2-piperidin-1-ylacetate?
The InChIKey is YBJYSKKPFKLGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(11,12)8-15-9(14)7-13-5-3-2-4-6-13/h2-8H2,1H3.
What are the key properties of 2,2-difluoropropyl 2-piperidin-1-ylacetate?
2,2-difluoropropyl 2-piperidin-1-ylacetate has a molecular weight of 221.25 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoropropyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 58341578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).