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

C13H22F3NO2 — CID 107485900

IUPAC2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(6-7-18)11-3-8-19-12(9-11)4-1-2-5-12/h11,18H,1-10H2
InChIKeySAXJYZYCYUMQBV-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.33
Rot. Bonds4

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

2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107485900) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107485900
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(6-7-18)11-3-8-19-12(9-11)4-1-2-5-12/h11,18H,1-10H2
InChIKeySAXJYZYCYUMQBV-UHFFFAOYSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902935
N-[2-(2,2,2-trifluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 79903198
1,1,1-Trifluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-2-ol
CID 105644941
1,1-Difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-2-ol
CID 105645536
N-[2-(2,2-difluoroethoxy)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 105910672
2,2-Difluoro-3-(6-oxaspiro[4.5]decan-9-ylamino)propan-1-ol
CID 106176420
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-[1,9-Dioxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485813
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

Frequently Asked Questions

What is the IUPAC name of 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol (CID 107485900) is 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is SAXJYZYCYUMQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-17(6-7-18)11-3-8-19-12(9-11)4-1-2-5-12/h11,18H,1-10H2.
What are the key properties of 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol?
2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 281.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107485900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).