tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate

C13H23FN2O2 — CID 115048250

IUPACtert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(F)CCN2)C1
InChIInChI=1S/C13H23FN2O2/c1-12(2,3)18-11(17)16-7-5-13(9-16)8-10(14)4-6-15-13/h10,15H,4-9H2,1-3H3
InChIKeyAJOUKHANSJIMET-UHFFFAOYSA-N
MW258.34 g/mol
LogP2.09
Rot. Bonds

About tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate

tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 115048250) has the molecular formula C13H23FN2O2 and a molecular weight of 258.34 g/mol. Its IUPAC name is tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
PubChem CID115048250
Molecular FormulaC13H23FN2O2
Molecular Weight258.34 g/mol
Exact Mass258.17
IUPAC Nametert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC(F)CCN2)C1
InChIInChI=1S/C13H23FN2O2/c1-12(2,3)18-11(17)16-7-5-13(9-16)8-10(14)4-6-15-13/h10,15H,4-9H2,1-3H3
InChIKeyAJOUKHANSJIMET-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 3-(2,2-dimethylpropyl)-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 165485581
tert-butyl 4-oxo-1,9-diazaspiro[5.5]undecane-9-carboxylate
CID 82379511
tert-butyl 2-cyano-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 178200523
tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
CID 115053003
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
CID 56973607
tert-butyl (5S)-3-oxo-1,2,7-triazaspiro[4.4]nonane-7-carboxylate
CID 124710760
tert-butyl 10-fluoro-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 71305847
tert-butyl 2-methyl-6-azaspiro[3.4]octane-6-carboxylate
CID 144719040

Frequently Asked Questions

What is the IUPAC name of tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate (CID 115048250) is tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC(F)CCN2)C1.
What is the InChIKey of tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is AJOUKHANSJIMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-12(2,3)18-11(17)16-7-5-13(9-16)8-10(14)4-6-15-13/h10,15H,4-9H2,1-3H3.
What are the key properties of tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate?
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 258.34 g/mol, XLogP of 2.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 115048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).