tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate

C13H23FN2O2 — CID 71305847

IUPACtert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)C2(CCNC2)C1
InChIInChI=1S/C13H23FN2O2/c1-12(2,3)18-11(17)16-7-4-10(14)13(9-16)5-6-15-8-13/h10,15H,4-9H2,1-3H3
InChIKeyMYRFQFLASPKFQB-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.95
Rot. Bonds

About tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate

tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 71305847) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID71305847
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Nametert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(F)C2(CCNC2)C1
InChIInChI=1S/C13H23FN2O2/c1-12(2,3)18-11(17)16-7-4-10(14)13(9-16)5-6-15-8-13/h10,15H,4-9H2,1-3H3
InChIKeyMYRFQFLASPKFQB-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-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 tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 71305847) is tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCC(F)C2(CCNC2)C1.
What is the InChIKey of tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is MYRFQFLASPKFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-12(2,3)18-11(17)16-7-4-10(14)13(9-16)5-6-15-8-13/h10,15H,4-9H2,1-3H3.
What are the key properties of tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate?
tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 71305847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).