1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine

C11H18F3NO2 — CID 79914929

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)6-9(15)8-1-3-17-10(5-8)2-4-16-7-10/h8-9H,1-7,15H2
InChIKeyMDPYFICVCXXCGC-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds2

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine (PubChem CID 79914929) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
PubChem CID79914929
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)6-9(15)8-1-3-17-10(5-8)2-4-16-7-10/h8-9H,1-7,15H2
InChIKeyMDPYFICVCXXCGC-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.85
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)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine (CID 79914929) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine is NC(CC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is MDPYFICVCXXCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)6-9(15)8-1-3-17-10(5-8)2-4-16-7-10/h8-9H,1-7,15H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 253.26 g/mol, XLogP of 1.85, 2 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)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 79914929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).