6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane

C8H13F2NO — CID 172608351

IUPAC6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane
SMILESFC(F)C1CNCC2(CCC2)O1
InChIInChI=1S/C8H13F2NO/c9-7(10)6-4-11-5-8(12-6)2-1-3-8/h6-7,11H,1-5H2
InChIKeyHBIAUULWVULASC-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds1

About 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane

6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane (PubChem CID 172608351) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane.

Molecular Properties

Compound Name6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane
PubChem CID172608351
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane
SMILESFC(F)C1CNCC2(CCC2)O1
InChIInChI=1S/C8H13F2NO/c9-7(10)6-4-11-5-8(12-6)2-1-3-8/h6-7,11H,1-5H2
InChIKeyHBIAUULWVULASC-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane?
The IUPAC name of 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane (CID 172608351) is 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane.
What is the SMILES notation for 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane?
The canonical SMILES for 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane is FC(F)C1CNCC2(CCC2)O1.
What is the InChIKey of 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane?
The InChIKey is HBIAUULWVULASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-7(10)6-4-11-5-8(12-6)2-1-3-8/h6-7,11H,1-5H2.
What are the key properties of 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane?
6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane has a molecular weight of 177.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-5-oxa-8-azaspiro[3.5]nonane is sourced from PubChem (CID 172608351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).