3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol

C18H24F3NO2 — CID 111457215

IUPAC3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H24F3NO2/c1-2-24-16-11-15(23)17(16)7-9-22(10-8-17)12-13-5-3-4-6-14(13)18(19,20)21/h3-6,15-16,23H,2,7-12H2,1H3
InChIKeyUJJNAAYHLFKDQO-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.46
Rot. Bonds4

About 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol

3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol (PubChem CID 111457215) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol.

Molecular Properties

Compound Name3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol
PubChem CID111457215
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol
SMILESCCOC1CC(O)C12CCN(Cc1ccccc1C(F)(F)F)CC2
InChIInChI=1S/C18H24F3NO2/c1-2-24-16-11-15(23)17(16)7-9-22(10-8-17)12-13-5-3-4-6-14(13)18(19,20)21/h3-6,15-16,23H,2,7-12H2,1H3
InChIKeyUJJNAAYHLFKDQO-UHFFFAOYSA-N
XLogP3.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

{1-Benzyl-4-[2-(trifluoromethyl)benzyl]piperidin-4-yl}methanol
CID 16191371
1-{1-[2-(Trifluoromethyl)benzyl]-4-piperidyl}-1-ethanol
CID 53193303
rel-(1R,3S)-3-(2-aminoethoxy)-7-(2,6-difluorobenzyl)-7-azaspiro[3.5]nonan-1-ol dihydrochloride
CID 70712847
{3-(2-Methoxyethyl)-1-[4-(trifluoromethyl)benzyl]-3-piperidinyl}methanol
CID 72844676
(1R*,3S*)-7-(2,3-dihydro-1H-inden-2-yl)-3-ethoxy-7-azaspiro[3.5]nonan-1-ol
CID 72884205
7-[(3,4-Difluorophenyl)methyl]-3-methoxy-7-azaspiro[3.5]nonane
CID 110197972
3-Methoxy-7-[[4-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonane
CID 124075330
1-[[2-(Trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 3731025
1-{[2-(Trifluoromethyl)phenyl]methyl}piperidin-4-ol
CID 40516285
(1R,3S)-3-(2-aminoethoxy)-7-[(2,5-dimethylphenyl)methyl]-7-azaspiro[3.5]nonan-1-ol
CID 70740408
{4-Benzyl-1-[2-(trifluoromethyl)benzyl]-4-piperidinyl}methanol
CID 42158695
2-{[(1R*,3S*)-1,3-dihydroxy-7-azaspiro[3.5]non-7-yl]methyl}benzonitrile
CID 70712113

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The IUPAC name of 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol (CID 111457215) is 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol.
What is the SMILES notation for 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The canonical SMILES for 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol is CCOC1CC(O)C12CCN(Cc1ccccc1C(F)(F)F)CC2.
What is the InChIKey of 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol?
The InChIKey is UJJNAAYHLFKDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-2-24-16-11-15(23)17(16)7-9-22(10-8-17)12-13-5-3-4-6-14(13)18(19,20)21/h3-6,15-16,23H,2,7-12H2,1H3.
What are the key properties of 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol?
3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol has a molecular weight of 343.39 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-7-[[2-(trifluoromethyl)phenyl]methyl]-7-azaspiro[3.5]nonan-1-ol is sourced from PubChem (CID 111457215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).