2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

C18H32FN — CID 176829939

IUPAC2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)CC1F
InChIInChI=1S/C18H32FN/c1-12(2)16-15(19)11-18(17(16)13(3)4)7-9-20(10-8-18)14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyNQGJPAOEGWXUCV-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.83
Rot. Bonds3

About 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene

2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (PubChem CID 176829939) has the molecular formula C18H32FN and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
PubChem CID176829939
Molecular FormulaC18H32FN
Molecular Weight281.46 g/mol
Exact Mass281.25
IUPAC Name2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene
SMILESCC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)CC1F
InChIInChI=1S/C18H32FN/c1-12(2)16-15(19)11-18(17(16)13(3)4)7-9-20(10-8-18)14(5)6/h12-15H,7-11H2,1-6H3
InChIKeyNQGJPAOEGWXUCV-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene (CID 176829939) is 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is CC(C)C1=C(C(C)C)C2(CCN(C(C)C)CC2)CC1F.
What is the InChIKey of 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
The InChIKey is NQGJPAOEGWXUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN/c1-12(2)16-15(19)11-18(17(16)13(3)4)7-9-20(10-8-18)14(5)6/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene?
2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene has a molecular weight of 281.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,4,8-tri(propan-2-yl)-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 176829939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).