ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate

C13H19F2NO3 — CID 138616914

IUPACethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C13H19F2NO3/c1-2-19-12(18)9-3-5-16(6-4-9)11(17)10-7-13(14,15)8-10/h9-10H,2-8H2,1H3
InChIKeyBVXZNCRDHUSFJD-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.83
Rot. Bonds3

About ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate

ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate (PubChem CID 138616914) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate
PubChem CID138616914
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Nameethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C13H19F2NO3/c1-2-19-12(18)9-3-5-16(6-4-9)11(17)10-7-13(14,15)8-10/h9-10H,2-8H2,1H3
InChIKeyBVXZNCRDHUSFJD-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate (CID 138616914) is ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CC(F)(F)C2)CC1.
What is the InChIKey of ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate?
The InChIKey is BVXZNCRDHUSFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-2-19-12(18)9-3-5-16(6-4-9)11(17)10-7-13(14,15)8-10/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate?
ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate has a molecular weight of 275.29 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 138616914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).