3-fluoro-1-oxa-8-azaspiro[4.5]decane

C8H14FNO — CID 55280856

IUPAC3-fluoro-1-oxa-8-azaspiro[4.5]decane
SMILESFC1COC2(CCNCC2)C1
InChIInChI=1S/C8H14FNO/c9-7-5-8(11-6-7)1-3-10-4-2-8/h7,10H,1-6H2
InChIKeyNWFWQBSPKCCTMW-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds

About 3-fluoro-1-oxa-8-azaspiro[4.5]decane

3-fluoro-1-oxa-8-azaspiro[4.5]decane (PubChem CID 55280856) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-fluoro-1-oxa-8-azaspiro[4.5]decane
PubChem CID55280856
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-1-oxa-8-azaspiro[4.5]decane
SMILESFC1COC2(CCNCC2)C1
InChIInChI=1S/C8H14FNO/c9-7-5-8(11-6-7)1-3-10-4-2-8/h7,10H,1-6H2
InChIKeyNWFWQBSPKCCTMW-UHFFFAOYSA-N
XLogP0.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-fluoro-1-oxa-8-azaspiro[4.5]decane (CID 55280856) is 3-fluoro-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-fluoro-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-fluoro-1-oxa-8-azaspiro[4.5]decane is FC1COC2(CCNCC2)C1.
What is the InChIKey of 3-fluoro-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is NWFWQBSPKCCTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-5-8(11-6-7)1-3-10-4-2-8/h7,10H,1-6H2.
What are the key properties of 3-fluoro-1-oxa-8-azaspiro[4.5]decane?
3-fluoro-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 159.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 55280856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).