2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol

C13H22F3NO3 — CID 107485813

IUPAC2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)10-17(4-5-18)11-1-6-20-12(9-11)2-7-19-8-3-12/h11,18H,1-10H2
InChIKeyJRYLMFXZJGPKJJ-UHFFFAOYSA-N
MW297.32 g/mol
LogP1.57
Rot. Bonds4

About 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol

2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485813) has the molecular formula C13H22F3NO3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485813
Molecular FormulaC13H22F3NO3
Molecular Weight297.32 g/mol
Exact Mass297.16
IUPAC Name2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C13H22F3NO3/c14-13(15,16)10-17(4-5-18)11-1-6-20-12(9-11)2-7-19-8-3-12/h11,18H,1-10H2
InChIKeyJRYLMFXZJGPKJJ-UHFFFAOYSA-N
XLogP1.57
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,9-Dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902936
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79903274
3-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)-1,1,1-trifluoropropan-2-ol
CID 105645025
3-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)-1,1-difluoropropan-2-ol
CID 105645751
N-[2-(2,2-difluoroethoxy)ethyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 105911024
3-(1,9-Dioxaspiro[5.5]undecan-4-ylamino)-2,2-difluoropropan-1-ol
CID 106176815
2-[2,2-Difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol
CID 107485221
2-[2,2-Difluoroethyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 107485302
2-[2,2-Difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 107485731
2-[2,6-Dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485850
2-[1-Oxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485899
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485900

Frequently Asked Questions

What is the IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 107485813) is 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is JRYLMFXZJGPKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO3/c14-13(15,16)10-17(4-5-18)11-1-6-20-12(9-11)2-7-19-8-3-12/h11,18H,1-10H2.
What are the key properties of 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 297.32 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,9-dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).