4,4-difluoro-8-oxa-1-azaspiro[4.5]decane

C8H13F2NO — CID 105467206

IUPAC4,4-difluoro-8-oxa-1-azaspiro[4.5]decane
SMILESFC1(F)CCNC12CCOCC2
InChIInChI=1S/C8H13F2NO/c9-8(10)1-4-11-7(8)2-5-12-6-3-7/h11H,1-6H2
InChIKeyPMTYFXQJWFPIRM-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds

About 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane

4,4-difluoro-8-oxa-1-azaspiro[4.5]decane (PubChem CID 105467206) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane.

Molecular Properties

Compound Name4,4-difluoro-8-oxa-1-azaspiro[4.5]decane
PubChem CID105467206
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4,4-difluoro-8-oxa-1-azaspiro[4.5]decane
SMILESFC1(F)CCNC12CCOCC2
InChIInChI=1S/C8H13F2NO/c9-8(10)1-4-11-7(8)2-5-12-6-3-7/h11H,1-6H2
InChIKeyPMTYFXQJWFPIRM-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 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane?
The IUPAC name of 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane (CID 105467206) is 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane.
What is the SMILES notation for 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane?
The canonical SMILES for 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane is FC1(F)CCNC12CCOCC2.
What is the InChIKey of 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane?
The InChIKey is PMTYFXQJWFPIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)1-4-11-7(8)2-5-12-6-3-7/h11H,1-6H2.
What are the key properties of 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane?
4,4-difluoro-8-oxa-1-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 4,4-difluoro-8-oxa-1-azaspiro[4.5]decane is sourced from PubChem (CID 105467206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).