2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

C13H22F3NO2 — CID 102903058

IUPAC2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)9-11-3-6-12(19-11)4-1-2-5-12/h11,18H,1-10H2
InChIKeyFZLRGJRMBQFYTF-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.33
Rot. Bonds5

About 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol

2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 102903058) has the molecular formula C13H22F3NO2 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID102903058
Molecular FormulaC13H22F3NO2
Molecular Weight281.32 g/mol
Exact Mass281.16
IUPAC Name2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESOCCN(CC1CCC2(CCCC2)O1)CC(F)(F)F
InChIInChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)9-11-3-6-12(19-11)4-1-2-5-12/h11,18H,1-10H2
InChIKeyFZLRGJRMBQFYTF-UHFFFAOYSA-N
XLogP2.33
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[1-Oxaspiro[4.5]decan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol
CID 102848142
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
2-[1-Oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 102899243
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-Difluoro-3-(1-oxaspiro[4.4]nonan-2-ylmethylamino)propan-1-ol
CID 106176880
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
2-[2,2-Difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
CID 107485738

Frequently Asked Questions

What is the IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol (CID 102903058) is 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is OCCN(CC1CCC2(CCCC2)O1)CC(F)(F)F.
What is the InChIKey of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is FZLRGJRMBQFYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO2/c14-13(15,16)10-17(7-8-18)9-11-3-6-12(19-11)4-1-2-5-12/h11,18H,1-10H2.
What are the key properties of 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 281.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-oxaspiro[4.4]nonan-2-ylmethyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 102903058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).