1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine

C10H16F3NO2 — CID 105016984

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1CCOC2(CCOC2)C1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8(14)7-1-3-16-9(5-7)2-4-15-6-9/h7-8H,1-6,14H2
InChIKeyVWQWUJWMABWJDV-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.46
Rot. Bonds1

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine (PubChem CID 105016984) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine
PubChem CID105016984
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine
SMILESNC(C1CCOC2(CCOC2)C1)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)8(14)7-1-3-16-9(5-7)2-4-15-6-9/h7-8H,1-6,14H2
InChIKeyVWQWUJWMABWJDV-UHFFFAOYSA-N
XLogP1.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine (CID 105016984) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine is NC(C1CCOC2(CCOC2)C1)C(F)(F)F.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine?
The InChIKey is VWQWUJWMABWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)8(14)7-1-3-16-9(5-7)2-4-15-6-9/h7-8H,1-6,14H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine has a molecular weight of 239.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 105016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).