6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane

C9H15F2NO — CID 21050500

IUPAC6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCOC2)C(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-12-4-2-8(3-5-13-7-8)9(10,11)6-12/h2-7H2,1H3
InChIKeyVIUAIEBVJWWFLW-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.36
Rot. Bonds

About 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane

6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane (PubChem CID 21050500) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane
PubChem CID21050500
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane
SMILESCN1CCC2(CCOC2)C(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-12-4-2-8(3-5-13-7-8)9(10,11)6-12/h2-7H2,1H3
InChIKeyVIUAIEBVJWWFLW-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane (CID 21050500) is 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane is CN1CCC2(CCOC2)C(F)(F)C1.
What is the InChIKey of 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is VIUAIEBVJWWFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-12-4-2-8(3-5-13-7-8)9(10,11)6-12/h2-7H2,1H3.
What are the key properties of 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane?
6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 191.22 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-methyl-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 21050500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).