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

C13H23F2NO2 — CID 107485535

IUPAC2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H23F2NO2/c14-12(15)10-16(7-8-17)9-11-3-6-13(18-11)4-1-2-5-13/h11-12,17H,1-10H2
InChIKeyOKRKXBCNZDDVBO-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.04
Rot. Bonds6

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

2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (PubChem CID 107485535) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
PubChem CID107485535
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCC2(CCCC2)O1
InChIInChI=1S/C13H23F2NO2/c14-12(15)10-16(7-8-17)9-11-3-6-13(18-11)4-1-2-5-13/h11-12,17H,1-10H2
InChIKeyOKRKXBCNZDDVBO-UHFFFAOYSA-N
XLogP2.04
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.04
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-[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-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[4.5]decan-2-ylmethyl)amino]ethanol
CID 107485738

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol (CID 107485535) is 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is OCCN(CC(F)F)CC1CCC2(CCCC2)O1.
What is the InChIKey of 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
The InChIKey is OKRKXBCNZDDVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c14-12(15)10-16(7-8-17)9-11-3-6-13(18-11)4-1-2-5-13/h11-12,17H,1-10H2.
What are the key properties of 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol has a molecular weight of 263.33 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(1-oxaspiro[4.4]nonan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 107485535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).