3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine

C13H22FNO — CID 112564115

IUPAC3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C13H22FNO/c14-13(8-11(15)9-13)10-3-6-16-12(7-10)4-1-2-5-12/h10-11H,1-9,15H2
InChIKeyJSQQSKZNYDNEGL-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.56
Rot. Bonds1

About 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine

3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine (PubChem CID 112564115) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine
PubChem CID112564115
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine
SMILESNC1CC(F)(C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C13H22FNO/c14-13(8-11(15)9-13)10-3-6-16-12(7-10)4-1-2-5-12/h10-11H,1-9,15H2
InChIKeyJSQQSKZNYDNEGL-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
The IUPAC name of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine (CID 112564115) is 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
The canonical SMILES for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine is NC1CC(F)(C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
The InChIKey is JSQQSKZNYDNEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c14-13(8-11(15)9-13)10-3-6-16-12(7-10)4-1-2-5-12/h10-11H,1-9,15H2.
What are the key properties of 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine?
3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine has a molecular weight of 227.32 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-amine is sourced from PubChem (CID 112564115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).