methyl 5,5-difluoropiperidine-2-carboxylate

C7H11F2NO2 — CID 55296550

IUPACmethyl 5,5-difluoropiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)5-2-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3
InChIKeyDXYRZTZHEAXGOK-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.55
Rot. Bonds1

About methyl 5,5-difluoropiperidine-2-carboxylate

methyl 5,5-difluoropiperidine-2-carboxylate (PubChem CID 55296550) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 5,5-difluoropiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5,5-difluoropiperidine-2-carboxylate
PubChem CID55296550
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Namemethyl 5,5-difluoropiperidine-2-carboxylate
SMILESCOC(=O)C1CCC(F)(F)CN1
InChIInChI=1S/C7H11F2NO2/c1-12-6(11)5-2-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3
InChIKeyDXYRZTZHEAXGOK-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5,5-difluoropiperidine-2-carboxylate 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 methyl 5,5-difluoropiperidine-2-carboxylate?
The IUPAC name of methyl 5,5-difluoropiperidine-2-carboxylate (CID 55296550) is methyl 5,5-difluoropiperidine-2-carboxylate.
What is the SMILES notation for methyl 5,5-difluoropiperidine-2-carboxylate?
The canonical SMILES for methyl 5,5-difluoropiperidine-2-carboxylate is COC(=O)C1CCC(F)(F)CN1.
What is the InChIKey of methyl 5,5-difluoropiperidine-2-carboxylate?
The InChIKey is DXYRZTZHEAXGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-12-6(11)5-2-3-7(8,9)4-10-5/h5,10H,2-4H2,1H3.
What are the key properties of methyl 5,5-difluoropiperidine-2-carboxylate?
methyl 5,5-difluoropiperidine-2-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-difluoropiperidine-2-carboxylate is sourced from PubChem (CID 55296550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).