2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol

C14H25F2NO2 — CID 107485731

IUPAC2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESOCCN(CC(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H25F2NO2/c15-13(16)11-17(7-8-18)12-4-9-19-14(10-12)5-2-1-3-6-14/h12-13,18H,1-11H2
InChIKeyWAILABXDWRGQIL-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.43
Rot. Bonds5

About 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol

2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol (PubChem CID 107485731) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
PubChem CID107485731
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
SMILESOCCN(CC(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H25F2NO2/c15-13(16)11-17(7-8-18)12-4-9-19-14(10-12)5-2-1-3-6-14/h12-13,18H,1-11H2
InChIKeyWAILABXDWRGQIL-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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[5.5]undecan-4-yl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79902480
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903435
2,2,2-Trifluoro-1-(2-morpholin-4-ylcyclohexyl)ethanol
CID 101501910
1,1,1-Trifluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
CID 105644875
N-[2-(2,2-difluoroethoxy)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 105910463
2,2-Difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
2-[2,2-Difluoroethyl(5-oxaspiro[3.5]nonan-8-yl)amino]ethanol
CID 107485221
2-[2,2-Difluoroethyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 107485302
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

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol (CID 107485731) is 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol is OCCN(CC(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
The InChIKey is WAILABXDWRGQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c15-13(16)11-17(7-8-18)12-4-9-19-14(10-12)5-2-1-3-6-14/h12-13,18H,1-11H2.
What are the key properties of 2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol?
2-[2,2-difluoroethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol has a molecular weight of 277.35 g/mol, XLogP of 2.43, 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(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol is sourced from PubChem (CID 107485731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).