tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate

C15H24FNO3 — CID 125451174

IUPACtert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@]2(CCC=CCO2)[C@@H](F)C1
InChIInChI=1S/C15H24FNO3/c1-14(2,3)20-13(18)17-9-8-15(12(16)11-17)7-5-4-6-10-19-15/h4,6,12H,5,7-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyACAWQWSDPGYWIN-SWLSCSKDSA-N
MW285.36 g/mol
LogP3.07
Rot. Bonds

About tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate

tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate (PubChem CID 125451174) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
PubChem CID125451174
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Nametert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@]2(CCC=CCO2)[C@@H](F)C1
InChIInChI=1S/C15H24FNO3/c1-14(2,3)20-13(18)17-9-8-15(12(16)11-17)7-5-4-6-10-19-15/h4,6,12H,5,7-11H2,1-3H3/t12-,15+/m0/s1
InChIKeyACAWQWSDPGYWIN-SWLSCSKDSA-N
XLogP3.07
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate with MolForge

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Related Compounds

Tert-butyl 1-oxa-9-azaspiro[5.5]undec-3-ene-9-carboxylate
CID 21955282
tert-butyl 4-fluoro-4-[[(1Z,6Z)-1-fluoroocta-1,3,6-trien-2-yl]oxymethyl]piperidine-1-carboxylate
CID 142816360
tert-butyl 4-formyloxy-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidine-1-carboxylate
CID 146583181
tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate
CID 121005243
tert-butyl (5R,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451170
tert-butyl (5R,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451173
tert-butyl (5S,6S)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 125451175
tert-Butyl 1-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate
CID 137702808
tert-butyl 4-ethoxy-4-[(E)-4,4,4-trifluorobut-1-enyl]piperidine-1-carboxylate
CID 149787934
Tert-butyl 3-tributylstannyl-1-oxa-8-azaspiro[4.5]dec-3-ene-8-carboxylate
CID 67483609
t-Butyl 4-(2-cyclohexen-1-yloxy)piperidine-1-carboxylate
CID 67529254
tert-butyl 4-[(E)-3-butoxyprop-1-enyl]piperidine-1-carboxylate
CID 67962324

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?
The IUPAC name of tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate (CID 125451174) is tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate.
What is the SMILES notation for tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?
The canonical SMILES for tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate is CC(C)(C)OC(=O)N1CC[C@]2(CCC=CCO2)[C@@H](F)C1.
What is the InChIKey of tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?
The InChIKey is ACAWQWSDPGYWIN-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-14(2,3)20-13(18)17-9-8-15(12(16)11-17)7-5-4-6-10-19-15/h4,6,12H,5,7-11H2,1-3H3/t12-,15+/m0/s1.
What are the key properties of tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate?
tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate has a molecular weight of 285.36 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,6R)-5-fluoro-7-oxa-3-azaspiro[5.6]dodec-9-ene-3-carboxylate is sourced from PubChem (CID 125451174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).