6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

C12H20FNO — CID 177161914

IUPAC6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2F)OC1C
InChIInChI=1S/C12H20FNO/c1-8-9(2)12(15-10(8)3)5-6-14(4)7-11(12)13/h10-11H,5-7H2,1-4H3
InChIKeyZUFHTCVKSOMERI-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.15
Rot. Bonds

About 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene

6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (PubChem CID 177161914) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
PubChem CID177161914
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene
SMILESCC1=C(C)C2(CCN(C)CC2F)OC1C
InChIInChI=1S/C12H20FNO/c1-8-9(2)12(15-10(8)3)5-6-14(4)7-11(12)13/h10-11H,5-7H2,1-4H3
InChIKeyZUFHTCVKSOMERI-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.15
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 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The IUPAC name of 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene (CID 177161914) is 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene.
What is the SMILES notation for 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The canonical SMILES for 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is CC1=C(C)C2(CCN(C)CC2F)OC1C.
What is the InChIKey of 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
The InChIKey is ZUFHTCVKSOMERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-8-9(2)12(15-10(8)3)5-6-14(4)7-11(12)13/h10-11H,5-7H2,1-4H3.
What are the key properties of 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene?
6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene has a molecular weight of 213.30 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,4,8-tetramethyl-1-oxa-8-azaspiro[4.5]dec-3-ene is sourced from PubChem (CID 177161914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).