1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol

C14H18F2N2O — CID 79968890

IUPAC1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)C1CN2CCN1CC2
InChIInChI=1S/C14H18F2N2O/c15-11-2-1-10(12(16)8-11)7-14(19)13-9-17-3-5-18(13)6-4-17/h1-2,8,13-14,19H,3-7,9H2
InChIKeyCGLUNLNJMJWARD-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.87
Rot. Bonds3

About 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol (PubChem CID 79968890) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol
PubChem CID79968890
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(F)cc1F)C1CN2CCN1CC2
InChIInChI=1S/C14H18F2N2O/c15-11-2-1-10(12(16)8-11)7-14(19)13-9-17-3-5-18(13)6-4-17/h1-2,8,13-14,19H,3-7,9H2
InChIKeyCGLUNLNJMJWARD-UHFFFAOYSA-N
XLogP0.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105373530
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,5-dimethylphenyl)ethanol
CID 79969739
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
N-[1,4-diazabicyclo[2.2.2]octan-2-yl-(2,4-difluorophenyl)methyl]ethanamine
CID 79974432
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethanamine
CID 79968785
2-(2-bromo-5-fluorophenyl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylethanamine
CID 79974245
2-(2,4-difluorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)ethanol
CID 65410003
1-(2,4-difluorophenyl)butan-2-ol
CID 23056492
3-(2,4-difluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 62962606
1-(2,4-difluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79060702
1,4-diazabicyclo[2.2.2]octan-2-yl-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288544
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol?
The IUPAC name of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol (CID 79968890) is 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol is OC(Cc1ccc(F)cc1F)C1CN2CCN1CC2.
What is the InChIKey of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol?
The InChIKey is CGLUNLNJMJWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-11-2-1-10(12(16)8-11)7-14(19)13-9-17-3-5-18(13)6-4-17/h1-2,8,13-14,19H,3-7,9H2.
What are the key properties of 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol?
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol has a molecular weight of 268.31 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 79968890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).