2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol

C12H21F2NO2 — CID 107485221

IUPAC2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol
SMILESOCCN(CC(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H21F2NO2/c13-11(14)9-15(5-6-16)10-2-7-17-12(8-10)3-1-4-12/h10-11,16H,1-9H2
InChIKeyFZOCYSZCKKIVTQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.65
Rot. Bonds5

About 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol

2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol (PubChem CID 107485221) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol
PubChem CID107485221
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol
SMILESOCCN(CC(F)F)C1CCOC2(CCC2)C1
InChIInChI=1S/C12H21F2NO2/c13-11(14)9-15(5-6-16)10-2-7-17-12(8-10)3-1-4-12/h10-11,16H,1-9H2
InChIKeyFZOCYSZCKKIVTQ-UHFFFAOYSA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-Oxaspiro[3.5]nonan-8-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79899088
N-[2-(2,2,2-trifluoroethoxy)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79903120
1,1-Difluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol
CID 105645749
2,2-Difluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-1-ol
CID 106176813
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-[1-Oxaspiro[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485899
2-[6-Oxaspiro[4.5]decan-9-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107485900
2-[2,2-Difluoroethyl(6-oxaspiro[4.5]decan-9-yl)amino]ethanol
CID 113965063
2-[5-Oxaspiro[3.5]nonan-8-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 113965071
1,1,1-Trifluoro-3-(5-oxaspiro[3.5]nonan-8-ylamino)propan-2-ol
CID 114093408

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol (CID 107485221) is 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol is OCCN(CC(F)F)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol?
The InChIKey is FZOCYSZCKKIVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c13-11(14)9-15(5-6-16)10-2-7-17-12(8-10)3-1-4-12/h10-11,16H,1-9H2.
What are the key properties of 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol?
2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol has a molecular weight of 249.30 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol is sourced from PubChem (CID 107485221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).