2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C11H20FNO — CID 112562717

IUPAC2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C11H20FNO/c12-10(8-13)9-3-6-14-11(7-9)4-1-2-5-11/h9-10H,1-8,13H2
InChIKeyDCIYNAVMZCJZSA-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.02
Rot. Bonds2

About 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine

2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 112562717) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound Name2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID112562717
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESNCC(F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C11H20FNO/c12-10(8-13)9-3-6-14-11(7-9)4-1-2-5-11/h9-10H,1-8,13H2
InChIKeyDCIYNAVMZCJZSA-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.02
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)ethanamine?
The IUPAC name of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 112562717) is 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine is NCC(F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is DCIYNAVMZCJZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-10(8-13)9-3-6-14-11(7-9)4-1-2-5-11/h9-10H,1-8,13H2.
What are the key properties of 2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
2-fluoro-2-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 201.28 g/mol, XLogP of 2.02, 2 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)ethanamine is sourced from PubChem (CID 112562717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).