2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C13H24FNO — CID 112566080

IUPAC2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H24FNO/c1-2-13(14,10-15)11-5-8-16-12(9-11)6-3-4-7-12/h11H,2-10,15H2,1H3
InChIKeyJNUTWQOKTPPCFD-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.80
Rot. Bonds3

About 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 112566080) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID112566080
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H24FNO/c1-2-13(14,10-15)11-5-8-16-12(9-11)6-3-4-7-12/h11H,2-10,15H2,1H3
InChIKeyJNUTWQOKTPPCFD-UHFFFAOYSA-N
XLogP2.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 112566080) is 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is CCC(F)(CN)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is JNUTWQOKTPPCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-2-13(14,10-15)11-5-8-16-12(9-11)6-3-4-7-12/h11H,2-10,15H2,1H3.
What are the key properties of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 229.34 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 112566080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).