methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate

C9H13F2NO3 — CID 103514360

IUPACmethyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H13F2NO3/c1-15-9(14)6-4-2-3-5-12(6)8(13)7(10)11/h6-7H,2-5H2,1H3
InChIKeyMYMKENJHEKTYRX-UHFFFAOYSA-N
MW221.20 g/mol
LogP0.81
Rot. Bonds2

About methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate

methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate (PubChem CID 103514360) has the molecular formula C9H13F2NO3 and a molecular weight of 221.20 g/mol. Its IUPAC name is methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
PubChem CID103514360
Molecular FormulaC9H13F2NO3
Molecular Weight221.20 g/mol
Exact Mass221.09
IUPAC Namemethyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C(F)F
InChIInChI=1S/C9H13F2NO3/c1-15-9(14)6-4-2-3-5-12(6)8(13)7(10)11/h6-7H,2-5H2,1H3
InChIKeyMYMKENJHEKTYRX-UHFFFAOYSA-N
XLogP0.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(2,2-difluoroacetyl)piperidine-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 1-(2,2-difluoroacetyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate (CID 103514360) is methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C(F)F.
What is the InChIKey of methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate?
The InChIKey is MYMKENJHEKTYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO3/c1-15-9(14)6-4-2-3-5-12(6)8(13)7(10)11/h6-7H,2-5H2,1H3.
What are the key properties of methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate?
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate has a molecular weight of 221.20 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 103514360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).