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

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Related Compounds

tert-butyl 4-(5-azaspiro[2.4]heptan-2-yl)piperidine-1-carboxylate
CID 115051625
tert-butyl 5-hydroxy-2,8-diazaspiro[3.5]nonane-2-carboxylate
CID 82386806
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
10-fluoro-7-methyl-2,7-diazaspiro[4.5]decane
CID 105435236
tert-butyl 3,3-difluoro-1,5-diazonane-1-carboxylate
CID 138987888
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl 1,1-dioxo-1λ6-thia-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 71305513
tert-butyl 10-oxo-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 74788415
bis[2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[4.4]nonan-1-yl] oxalate
CID 162368130
tert-butyl (3S)-3-ethynyl-3-fluoropyrrolidine-1-carboxylate
CID 171934896
tert-butyl 4-[[(3R)-3-(trifluoromethyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 90856964

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).