2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

C12H17FN2O5 — CID 14371844

IUPAC2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCON1C(=O)CC2(CCN(C(=O)OCCF)CC2)C1=O
InChIInChI=1S/C12H17FN2O5/c1-19-15-9(16)8-12(10(15)17)2-5-14(6-3-12)11(18)20-7-4-13/h2-8H2,1H3
InChIKeyAYJIZZMQLZIHFR-UHFFFAOYSA-N
MW288.28 g/mol
LogP0.50
Rot. Bonds3

About 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate

2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 14371844) has the molecular formula C12H17FN2O5 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID14371844
Molecular FormulaC12H17FN2O5
Molecular Weight288.28 g/mol
Exact Mass288.11
IUPAC Name2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESCON1C(=O)CC2(CCN(C(=O)OCCF)CC2)C1=O
InChIInChI=1S/C12H17FN2O5/c1-19-15-9(16)8-12(10(15)17)2-5-14(6-3-12)11(18)20-7-4-13/h2-8H2,1H3
InChIKeyAYJIZZMQLZIHFR-UHFFFAOYSA-N
XLogP0.50
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-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 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 14371844) is 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate is CON1C(=O)CC2(CCN(C(=O)OCCF)CC2)C1=O.
What is the InChIKey of 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is AYJIZZMQLZIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O5/c1-19-15-9(16)8-12(10(15)17)2-5-14(6-3-12)11(18)20-7-4-13/h2-8H2,1H3.
What are the key properties of 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate?
2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 288.28 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoroethyl 2-methoxy-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 14371844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).