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

C15H24F3NO2 — CID 79908110

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCOC3)C2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)12-2-1-4-14(19,9-12)11-3-6-21-13(8-11)5-7-20-10-13/h11-12H,1-10,19H2
InChIKeyUBDIBCWULAXBLI-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.02
Rot. Bonds1

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

1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 79908110) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID79908110
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine
SMILESNC1(C2CCOC3(CCOC3)C2)CCCC(C(F)(F)F)C1
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)12-2-1-4-14(19,9-12)11-3-6-21-13(8-11)5-7-20-10-13/h11-12H,1-10,19H2
InChIKeyUBDIBCWULAXBLI-UHFFFAOYSA-N
XLogP3.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.02
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-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine (CID 79908110) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine is NC1(C2CCOC3(CCOC3)C2)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UBDIBCWULAXBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)12-2-1-4-14(19,9-12)11-3-6-21-13(8-11)5-7-20-10-13/h11-12H,1-10,19H2.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 307.36 g/mol, XLogP of 3.02, 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)-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 79908110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).