2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol

C12H20F3NO3 — CID 107485850

IUPAC2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-16(3-4-17)10-1-5-19-11(7-10)2-6-18-9-11/h10,17H,1-9H2
InChIKeyUVQAWDMKKZNJGP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.18
Rot. Bonds4

About 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol

2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485850) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485850
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCOC2(CCOC2)C1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-16(3-4-17)10-1-5-19-11(7-10)2-6-18-9-11/h10,17H,1-9H2
InChIKeyUVQAWDMKKZNJGP-UHFFFAOYSA-N
XLogP1.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-Dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79898789
N-[2-(2,2,2-trifluoroethoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 79904193
3-(2,6-Dioxaspiro[4.5]decan-9-ylamino)-1,1,1-trifluoropropan-2-ol
CID 105644794
3-(2,6-Dioxaspiro[4.5]decan-9-ylamino)-1,1-difluoropropan-2-ol
CID 105645157
N-[2-(2,2-difluoroethoxy)ethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 105910147
3-(2,6-Dioxaspiro[4.5]decan-9-ylamino)-2,2-difluoropropan-1-ol
CID 106176039
2-[2,2-Difluoroethyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 107485302
2-[1,9-Dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485813
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485900
2-[2,2-Difluoroethyl(2,6-dioxaspiro[4.5]decan-9-yl)amino]ethanol
CID 113965031
2-[2,2-Difluoroethyl(6-oxaspiro[4.5]decan-9-yl)amino]ethanol
CID 113965063
2-(2,6-Dioxaspiro[4.5]decan-9-ylamino)ethanol
CID 79898418

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 107485850) is 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)C1CCOC2(CCOC2)C1.
What is the InChIKey of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is UVQAWDMKKZNJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)8-16(3-4-17)10-1-5-19-11(7-10)2-6-18-9-11/h10,17H,1-9H2.
What are the key properties of 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 283.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dioxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).