(5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene

C17H30FNO — CID 176829850

IUPAC(5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)[C@]2(CCN(C(C)C)C[C@@H]2F)OC1
InChIInChI=1S/C17H30FNO/c1-11(2)14-10-20-17(16(14)12(3)4)7-8-19(13(5)6)9-15(17)18/h11-13,15H,7-10H2,1-6H3/t15-,17+/m0/s1
InChIKeyDOKGFOUXWHLLRF-DOTOQJQBSA-N
MW283.43 g/mol
LogP3.82
Rot. Bonds3

About (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene

(5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 176829850) has the molecular formula C17H30FNO and a molecular weight of 283.43 g/mol. Its IUPAC name is (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name(5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID176829850
Molecular FormulaC17H30FNO
Molecular Weight283.43 g/mol
Exact Mass283.23
IUPAC Name(5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)[C@]2(CCN(C(C)C)C[C@@H]2F)OC1
InChIInChI=1S/C17H30FNO/c1-11(2)14-10-20-17(16(14)12(3)4)7-8-19(13(5)6)9-15(17)18/h11-13,15H,7-10H2,1-6H3/t15-,17+/m0/s1
InChIKeyDOKGFOUXWHLLRF-DOTOQJQBSA-N
XLogP3.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.43
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 176829850) is (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene is CC(C)C1=C(C(C)C)[C@]2(CCN(C(C)C)C[C@@H]2F)OC1.
What is the InChIKey of (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is DOKGFOUXWHLLRF-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H30FNO/c1-11(2)14-10-20-17(16(14)12(3)4)7-8-19(13(5)6)9-15(17)18/h11-13,15H,7-10H2,1-6H3/t15-,17+/m0/s1.
What are the key properties of (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene?
(5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 283.43 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-fluoro-3,4,8-tri(propan-2-yl)-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176829850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).