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

C8H13F2NO — CID 55280857

IUPAC3,3-difluoro-1-oxa-8-azaspiro[4.5]decane
SMILESFC1(F)COC2(CCNCC2)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)5-7(12-6-8)1-3-11-4-2-7/h11H,1-6H2
InChIKeyTXDBSMYUFFCTNM-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds

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

3,3-difluoro-1-oxa-8-azaspiro[4.5]decane (PubChem CID 55280857) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3,3-difluoro-1-oxa-8-azaspiro[4.5]decane
PubChem CID55280857
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name3,3-difluoro-1-oxa-8-azaspiro[4.5]decane
SMILESFC1(F)COC2(CCNCC2)C1
InChIInChI=1S/C8H13F2NO/c9-8(10)5-7(12-6-8)1-3-11-4-2-7/h11H,1-6H2
InChIKeyTXDBSMYUFFCTNM-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane (CID 55280857) is 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane is FC1(F)COC2(CCNCC2)C1.
What is the InChIKey of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is TXDBSMYUFFCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)5-7(12-6-8)1-3-11-4-2-7/h11H,1-6H2.
What are the key properties of 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane?
3,3-difluoro-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 177.19 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 55280857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).