3-fluoro-1-oxa-9-azaspiro[4.5]decane

C8H14FNO — CID 135392691

IUPAC3-fluoro-1-oxa-9-azaspiro[4.5]decane
SMILESFC1COC2(CCCNC2)C1
InChIInChI=1S/C8H14FNO/c9-7-4-8(11-5-7)2-1-3-10-6-8/h7,10H,1-6H2
InChIKeyCZKSNVGRYAVOQY-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.87
Rot. Bonds

About 3-fluoro-1-oxa-9-azaspiro[4.5]decane

3-fluoro-1-oxa-9-azaspiro[4.5]decane (PubChem CID 135392691) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 3-fluoro-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-fluoro-1-oxa-9-azaspiro[4.5]decane
PubChem CID135392691
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name3-fluoro-1-oxa-9-azaspiro[4.5]decane
SMILESFC1COC2(CCCNC2)C1
InChIInChI=1S/C8H14FNO/c9-7-4-8(11-5-7)2-1-3-10-6-8/h7,10H,1-6H2
InChIKeyCZKSNVGRYAVOQY-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

1-Oxa-7-azaspiro(4.5)decane
CID 22618189
7-Oxa-1-azaspiro(4.5)decane
CID 55280007
6-Oxa-2-azaspiro[4.5]decane
CID 55280006
3,3-Difluoro-1-oxa-7-azaspiro[4.5]decane
CID 55280740
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659
5,5,5-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)pentan-1-amine
CID 102897661
3-Fluoro-3-(oxolan-3-yl)piperidine
CID 112562939
3-Fluoro-3-[2-(oxolan-2-yl)ethyl]piperidine
CID 112563004
9-Fluoro-2-oxa-6-azaspiro[4.5]decane
CID 115012448

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of 3-fluoro-1-oxa-9-azaspiro[4.5]decane (CID 135392691) is 3-fluoro-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 3-fluoro-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for 3-fluoro-1-oxa-9-azaspiro[4.5]decane is FC1COC2(CCCNC2)C1.
What is the InChIKey of 3-fluoro-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is CZKSNVGRYAVOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-7-4-8(11-5-7)2-1-3-10-6-8/h7,10H,1-6H2.
What are the key properties of 3-fluoro-1-oxa-9-azaspiro[4.5]decane?
3-fluoro-1-oxa-9-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-9-azaspiro[4.5]decane is sourced from PubChem (CID 135392691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).