6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane

C11H18FNO — CID 163782450

IUPAC6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESC=CC1(F)CN(C)CCC12CCOC2
InChIInChI=1S/C11H18FNO/c1-3-11(12)8-13(2)6-4-10(11)5-7-14-9-10/h3H,1,4-9H2,2H3
InChIKeyMPSDFISLLQJQIC-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.62
Rot. Bonds1

About 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane

6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 163782450) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID163782450
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESC=CC1(F)CN(C)CCC12CCOC2
InChIInChI=1S/C11H18FNO/c1-3-11(12)8-13(2)6-4-10(11)5-7-14-9-10/h3H,1,4-9H2,2H3
InChIKeyMPSDFISLLQJQIC-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.62
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-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane (CID 163782450) is 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane is C=CC1(F)CN(C)CCC12CCOC2.
What is the InChIKey of 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is MPSDFISLLQJQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c1-3-11(12)8-13(2)6-4-10(11)5-7-14-9-10/h3H,1,4-9H2,2H3.
What are the key properties of 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 199.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-6-fluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 163782450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).