6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene

C13H22FN — CID 177161789

IUPAC6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2F)CC1C
InChIInChI=1S/C13H22FN/c1-9-7-13(11(3)10(9)2)5-6-15(4)8-12(13)14/h9,12H,5-8H2,1-4H3
InChIKeyHMRHTTKWWGQQAN-UHFFFAOYSA-N
MW211.32 g/mol
LogP3.02
Rot. Bonds

About 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene

6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene (PubChem CID 177161789) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene
PubChem CID177161789
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2F)CC1C
InChIInChI=1S/C13H22FN/c1-9-7-13(11(3)10(9)2)5-6-15(4)8-12(13)14/h9,12H,5-8H2,1-4H3
InChIKeyHMRHTTKWWGQQAN-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.02
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 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene (CID 177161789) is 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCN(C)CC2F)CC1C.
What is the InChIKey of 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene?
The InChIKey is HMRHTTKWWGQQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN/c1-9-7-13(11(3)10(9)2)5-6-15(4)8-12(13)14/h9,12H,5-8H2,1-4H3.
What are the key properties of 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene?
6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene has a molecular weight of 211.32 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4,8-tetramethyl-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177161789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).