3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane

C12H22FNO — CID 143899794

IUPAC3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1COC2(CCC(C)(F)CC2)N1C
InChIInChI=1S/C12H22FNO/c1-4-10-9-15-12(14(10)3)7-5-11(2,13)6-8-12/h10H,4-9H2,1-3H3
InChIKeyHYVANHIBSBVDLO-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.73
Rot. Bonds1

About 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane

3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 143899794) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID143899794
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1COC2(CCC(C)(F)CC2)N1C
InChIInChI=1S/C12H22FNO/c1-4-10-9-15-12(14(10)3)7-5-11(2,13)6-8-12/h10H,4-9H2,1-3H3
InChIKeyHYVANHIBSBVDLO-UHFFFAOYSA-N
XLogP2.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane (CID 143899794) is 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane is CCC1COC2(CCC(C)(F)CC2)N1C.
What is the InChIKey of 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is HYVANHIBSBVDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c1-4-10-9-15-12(14(10)3)7-5-11(2,13)6-8-12/h10H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane?
3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 215.31 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8-fluoro-4,8-dimethyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 143899794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).