8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane

C7H11F2NO — CID 155893439

IUPAC8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane
SMILESFC1(F)CCNC2(COC2)C1
InChIInChI=1S/C7H11F2NO/c8-7(9)1-2-10-6(3-7)4-11-5-6/h10H,1-5H2
InChIKeyMEPQTEWRJJWBIT-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.77
Rot. Bonds

About 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane

8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane (PubChem CID 155893439) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane.

Molecular Properties

Compound Name8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane
PubChem CID155893439
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane
SMILESFC1(F)CCNC2(COC2)C1
InChIInChI=1S/C7H11F2NO/c8-7(9)1-2-10-6(3-7)4-11-5-6/h10H,1-5H2
InChIKeyMEPQTEWRJJWBIT-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane?
The IUPAC name of 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane (CID 155893439) is 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane.
What is the SMILES notation for 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane?
The canonical SMILES for 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane is FC1(F)CCNC2(COC2)C1.
What is the InChIKey of 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane?
The InChIKey is MEPQTEWRJJWBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)1-2-10-6(3-7)4-11-5-6/h10H,1-5H2.
What are the key properties of 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane?
8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane has a molecular weight of 163.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-2-oxa-5-azaspiro[3.5]nonane is sourced from PubChem (CID 155893439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).