tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate

C15H24FNO5 — CID 58804107

IUPACtert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate
SMILESCCOC(=O)OCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24FNO5/c1-5-20-14(19)21-10-12(16)11-6-8-17(9-7-11)13(18)22-15(2,3)4/h5-10H2,1-4H3
InChIKeyZXDZQKXNJZVRAT-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate

tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate (PubChem CID 58804107) has the molecular formula C15H24FNO5 and a molecular weight of 317.36 g/mol. Its IUPAC name is tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate
PubChem CID58804107
Molecular FormulaC15H24FNO5
Molecular Weight317.36 g/mol
Exact Mass317.16
IUPAC Nametert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate
SMILESCCOC(=O)OCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H24FNO5/c1-5-20-14(19)21-10-12(16)11-6-8-17(9-7-11)13(18)22-15(2,3)4/h5-10H2,1-4H3
InChIKeyZXDZQKXNJZVRAT-UHFFFAOYSA-N
XLogP3.41
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate (CID 58804107) is tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate is CCOC(=O)OCC(F)=C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate?
The InChIKey is ZXDZQKXNJZVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO5/c1-5-20-14(19)21-10-12(16)11-6-8-17(9-7-11)13(18)22-15(2,3)4/h5-10H2,1-4H3.
What are the key properties of tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate?
tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate has a molecular weight of 317.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-ethoxycarbonyloxy-1-fluoroethylidene)piperidine-1-carboxylate is sourced from PubChem (CID 58804107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).