ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate

C11H17F2NO4 — CID 71232328

IUPACethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(=O)C(C)(F)F)CC1
InChIInChI=1S/C11H17F2NO4/c1-3-17-10(16)14-6-4-8(5-7-14)18-9(15)11(2,12)13/h8H,3-7H2,1-2H3
InChIKeyRTAQNJHGKPVVDZ-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.81
Rot. Bonds3

About ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate

ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate (PubChem CID 71232328) has the molecular formula C11H17F2NO4 and a molecular weight of 265.26 g/mol. Its IUPAC name is ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
PubChem CID71232328
Molecular FormulaC11H17F2NO4
Molecular Weight265.26 g/mol
Exact Mass265.11
IUPAC Nameethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OC(=O)C(C)(F)F)CC1
InChIInChI=1S/C11H17F2NO4/c1-3-17-10(16)14-6-4-8(5-7-14)18-9(15)11(2,12)13/h8H,3-7H2,1-2H3
InChIKeyRTAQNJHGKPVVDZ-UHFFFAOYSA-N
XLogP1.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3,3-difluoro-4-methoxypiperidine-1-carboxylate
CID 129980637
Tert-Butyl 4-(2,2,2-trifluoroethoxy)-1-piperidinecarboxylate
CID 21906044
2-Methylbutan-2-yl 4-(2,2,4,4,4-pentafluorobutanoyloxy)piperidine-1-carboxylate
CID 58070697
Propan-2-yl 4,4-difluoropiperidine-1-carboxylate
CID 58469456
(1-Methylpiperidin-4-yl) 2,2-difluoropropanoate
CID 58571494
Tert-butyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate
CID 58571501
1,1,1-Trifluoropropan-2-yl 3-piperidin-1-ylpropanoate
CID 59203995
1-(4-Ethoxypiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62726538
1-[4-(2,2,2-Trifluoroethoxy)piperidin-1-yl]ethanone
CID 68211716
(1,1,1-Trifluoro-2-methylbutan-2-yl) 4-(2,2-dimethylbutanoyloxy)piperidine-1-carboxylate
CID 70958176
2-Methylbutan-2-yl 4-(2,2-difluorobutanoyloxy)piperidine-1-carboxylate
CID 70958185
Tert-butyl 4-(2,2-difluoropropanoyloxymethyl)piperidine-1-carboxylate
CID 71232324

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate (CID 71232328) is ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate is CCOC(=O)N1CCC(OC(=O)C(C)(F)F)CC1.
What is the InChIKey of ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate?
The InChIKey is RTAQNJHGKPVVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO4/c1-3-17-10(16)14-6-4-8(5-7-14)18-9(15)11(2,12)13/h8H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate?
ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate has a molecular weight of 265.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,2-difluoropropanoyloxy)piperidine-1-carboxylate is sourced from PubChem (CID 71232328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).