8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane

C12H22FNO2 — CID 169032482

IUPAC8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)CN1CCC2(OCCO2)C(F)C1
InChIInChI=1S/C12H22FNO2/c1-11(2,3)9-14-5-4-12(10(13)8-14)15-6-7-16-12/h10H,4-9H2,1-3H3
InChIKeyKPOUFOZMDUWPAU-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.82
Rot. Bonds1

About 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane

8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 169032482) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID169032482
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane
SMILESCC(C)(C)CN1CCC2(OCCO2)C(F)C1
InChIInChI=1S/C12H22FNO2/c1-11(2,3)9-14-5-4-12(10(13)8-14)15-6-7-16-12/h10H,4-9H2,1-3H3
InChIKeyKPOUFOZMDUWPAU-UHFFFAOYSA-N
XLogP1.82
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane (CID 169032482) is 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane is CC(C)(C)CN1CCC2(OCCO2)C(F)C1.
What is the InChIKey of 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is KPOUFOZMDUWPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-11(2,3)9-14-5-4-12(10(13)8-14)15-6-7-16-12/h10H,4-9H2,1-3H3.
What are the key properties of 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane?
8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 231.31 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,2-dimethylpropyl)-6-fluoro-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 169032482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).