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

C14H25F2NO2 — CID 107485738

IUPAC2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H25F2NO2/c15-13(16)11-17(8-9-18)10-12-4-7-14(19-12)5-2-1-3-6-14/h12-13,18H,1-11H2
InChIKeyZGWSXSFYKXIFLF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.43
Rot. Bonds6

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

2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol (PubChem CID 107485738) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
PubChem CID107485738
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol
SMILESOCCN(CC(F)F)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C14H25F2NO2/c15-13(16)11-17(8-9-18)10-12-4-7-14(19-12)5-2-1-3-6-14/h12-13,18H,1-11H2
InChIKeyZGWSXSFYKXIFLF-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.43
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[4.5]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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol (CID 107485738) is 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol is OCCN(CC(F)F)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
The InChIKey is ZGWSXSFYKXIFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c15-13(16)11-17(8-9-18)10-12-4-7-14(19-12)5-2-1-3-6-14/h12-13,18H,1-11H2.
What are the key properties of 2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol?
2-[2,2-difluoroethyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]ethanol has a molecular weight of 277.35 g/mol, XLogP of 2.43, 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[4.5]decan-2-ylmethyl)amino]ethanol is sourced from PubChem (CID 107485738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).