3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane

C11H19F2NO — CID 143899844

IUPAC3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1COC2(CCC(F)(F)CC2)N1C
InChIInChI=1S/C11H19F2NO/c1-3-9-8-15-11(14(9)2)6-4-10(12,13)5-7-11/h9H,3-8H2,1-2H3
InChIKeyLSZRIYDMMJCHOJ-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.63
Rot. Bonds1

About 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane

3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane (PubChem CID 143899844) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane
PubChem CID143899844
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane
SMILESCCC1COC2(CCC(F)(F)CC2)N1C
InChIInChI=1S/C11H19F2NO/c1-3-9-8-15-11(14(9)2)6-4-10(12,13)5-7-11/h9H,3-8H2,1-2H3
InChIKeyLSZRIYDMMJCHOJ-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane?
The IUPAC name of 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane (CID 143899844) is 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane.
What is the SMILES notation for 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane?
The canonical SMILES for 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane is CCC1COC2(CCC(F)(F)CC2)N1C.
What is the InChIKey of 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane?
The InChIKey is LSZRIYDMMJCHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-9-8-15-11(14(9)2)6-4-10(12,13)5-7-11/h9H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane?
3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane has a molecular weight of 219.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-8,8-difluoro-4-methyl-1-oxa-4-azaspiro[4.5]decane is sourced from PubChem (CID 143899844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).