2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

C14H24F3NO2 — CID 102848142

IUPAC2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCCC2)O1)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-18(8-9-19)10-12-4-7-13(20-12)5-2-1-3-6-13/h12,19H,1-11H2
InChIKeyDVQPNJSQAIEGKN-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.72
Rot. Bonds5

About 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 102848142) has the molecular formula C14H24F3NO2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID102848142
Molecular FormulaC14H24F3NO2
Molecular Weight295.34 g/mol
Exact Mass295.18
IUPAC Name2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCCC2)O1)CC(F)(F)F
InChIInChI=1S/C14H24F3NO2/c15-14(16,17)11-18(8-9-19)10-12-4-7-13(20-12)5-2-1-3-6-13/h12,19H,1-11H2
InChIKeyDVQPNJSQAIEGKN-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899244
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102903058
2-[(5,5-Dimethyloxolan-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 104889633
1,1,1-Trifluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-2-ol
CID 105644980
1,1,1-Trifluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-2-ol
CID 105645075
1,1-Difluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-2-ol
CID 105645620
1,1-Difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-2-ol
CID 105645870
2-(2,2-difluoroethoxy)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 105910762
2,2-Difluoro-3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propan-1-ol
CID 106176660
2-[2,2-Difluoroethyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]ethanol
CID 107485457
2-[2,2-Difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
CID 107485535

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 102848142) is 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC1CCC2(CCCCC2)O1)CC(F)(F)F.
What is the InChIKey of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is DVQPNJSQAIEGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2/c15-14(16,17)11-18(8-9-19)10-12-4-7-13(20-12)5-2-1-3-6-13/h12,19H,1-11H2.
What are the key properties of 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 295.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 102848142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).