4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane

C7H11F2NO — CID 83670265

IUPAC4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane
SMILESFC1(F)COCC12CCNC2
InChIInChI=1S/C7H11F2NO/c8-7(9)5-11-4-6(7)1-2-10-3-6/h10H,1-5H2
InChIKeyLMYPHFGUCWNNHL-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.63
Rot. Bonds

About 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane

4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane (PubChem CID 83670265) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane
PubChem CID83670265
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane
SMILESFC1(F)COCC12CCNC2
InChIInChI=1S/C7H11F2NO/c8-7(9)5-11-4-6(7)1-2-10-3-6/h10H,1-5H2
InChIKeyLMYPHFGUCWNNHL-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane?
The IUPAC name of 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane (CID 83670265) is 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane is FC1(F)COCC12CCNC2.
What is the InChIKey of 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane?
The InChIKey is LMYPHFGUCWNNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c8-7(9)5-11-4-6(7)1-2-10-3-6/h10H,1-5H2.
What are the key properties of 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane?
4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane has a molecular weight of 163.17 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-oxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 83670265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).