5-fluoro-1-oxa-7-azaspiro[3.4]octane

C6H10FNO — CID 171036479

IUPAC5-fluoro-1-oxa-7-azaspiro[3.4]octane
SMILESFC1CNCC12CCO2
InChIInChI=1S/C6H10FNO/c7-5-3-8-4-6(5)1-2-9-6/h5,8H,1-4H2
InChIKeyDTLBMSBABPROOD-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.09
Rot. Bonds

About 5-fluoro-1-oxa-7-azaspiro[3.4]octane

5-fluoro-1-oxa-7-azaspiro[3.4]octane (PubChem CID 171036479) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 5-fluoro-1-oxa-7-azaspiro[3.4]octane.

Molecular Properties

Compound Name5-fluoro-1-oxa-7-azaspiro[3.4]octane
PubChem CID171036479
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name5-fluoro-1-oxa-7-azaspiro[3.4]octane
SMILESFC1CNCC12CCO2
InChIInChI=1S/C6H10FNO/c7-5-3-8-4-6(5)1-2-9-6/h5,8H,1-4H2
InChIKeyDTLBMSBABPROOD-UHFFFAOYSA-N
XLogP0.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-oxa-7-azaspiro[3.4]octane?
The IUPAC name of 5-fluoro-1-oxa-7-azaspiro[3.4]octane (CID 171036479) is 5-fluoro-1-oxa-7-azaspiro[3.4]octane.
What is the SMILES notation for 5-fluoro-1-oxa-7-azaspiro[3.4]octane?
The canonical SMILES for 5-fluoro-1-oxa-7-azaspiro[3.4]octane is FC1CNCC12CCO2.
What is the InChIKey of 5-fluoro-1-oxa-7-azaspiro[3.4]octane?
The InChIKey is DTLBMSBABPROOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c7-5-3-8-4-6(5)1-2-9-6/h5,8H,1-4H2.
What are the key properties of 5-fluoro-1-oxa-7-azaspiro[3.4]octane?
5-fluoro-1-oxa-7-azaspiro[3.4]octane has a molecular weight of 131.15 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-oxa-7-azaspiro[3.4]octane is sourced from PubChem (CID 171036479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).