piperidin-4-yl 2,2-difluoropropanoate

C8H13F2NO2 — CID 89393503

IUPACpiperidin-4-yl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCNCC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)7(12)13-6-2-4-11-5-3-6/h6,11H,2-5H2,1H3
InChIKeyCJJAKFPKCBWYQR-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.94
Rot. Bonds2

About piperidin-4-yl 2,2-difluoropropanoate

piperidin-4-yl 2,2-difluoropropanoate (PubChem CID 89393503) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is piperidin-4-yl 2,2-difluoropropanoate.

Molecular Properties

Compound Namepiperidin-4-yl 2,2-difluoropropanoate
PubChem CID89393503
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namepiperidin-4-yl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCNCC1
InChIInChI=1S/C8H13F2NO2/c1-8(9,10)7(12)13-6-2-4-11-5-3-6/h6,11H,2-5H2,1H3
InChIKeyCJJAKFPKCBWYQR-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze piperidin-4-yl 2,2-difluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl 2,2-difluoropropanoate?
The IUPAC name of piperidin-4-yl 2,2-difluoropropanoate (CID 89393503) is piperidin-4-yl 2,2-difluoropropanoate.
What is the SMILES notation for piperidin-4-yl 2,2-difluoropropanoate?
The canonical SMILES for piperidin-4-yl 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCNCC1.
What is the InChIKey of piperidin-4-yl 2,2-difluoropropanoate?
The InChIKey is CJJAKFPKCBWYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-8(9,10)7(12)13-6-2-4-11-5-3-6/h6,11H,2-5H2,1H3.
What are the key properties of piperidin-4-yl 2,2-difluoropropanoate?
piperidin-4-yl 2,2-difluoropropanoate has a molecular weight of 193.19 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl 2,2-difluoropropanoate is sourced from PubChem (CID 89393503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).