3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine

C13H22FNO2 — CID 112564157

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C13H22FNO2/c14-13(8-11(15)9-13)10-1-4-17-12(7-10)2-5-16-6-3-12/h10-11H,1-9,15H2
InChIKeySOIFGRJBXIDOJI-UHFFFAOYSA-N
MW243.32 g/mol
LogP1.79
Rot. Bonds1

About 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine

3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine (PubChem CID 112564157) has the molecular formula C13H22FNO2 and a molecular weight of 243.32 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine
PubChem CID112564157
Molecular FormulaC13H22FNO2
Molecular Weight243.32 g/mol
Exact Mass243.16
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C13H22FNO2/c14-13(8-11(15)9-13)10-1-4-17-12(7-10)2-5-16-6-3-12/h10-11H,1-9,15H2
InChIKeySOIFGRJBXIDOJI-UHFFFAOYSA-N
XLogP1.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3,3,3-trifluoropropan-1-amine
CID 79915271
3,3,3-Trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79915272
4,4,4-Trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79953913
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4,4,4-trifluorobutan-1-amine
CID 79954615
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148028
1-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148203
3-(2,2-Difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 103148899
3-(2,2-Difluoroethoxy)-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 103149111
3,3,3-Trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312137
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
2,2-Difluoro-1-(5-oxaspiro[3.5]nonan-8-yl)ethanamine
CID 103516870
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-2,2-difluoroethanamine
CID 103516890

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine (CID 112564157) is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine is NC1CC(F)(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine?
The InChIKey is SOIFGRJBXIDOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO2/c14-13(8-11(15)9-13)10-1-4-17-12(7-10)2-5-16-6-3-12/h10-11H,1-9,15H2.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine?
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine has a molecular weight of 243.32 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 112564157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).