2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

C18H25F3N2O2 — CID 120908585

IUPAC2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCOc1cc(CN2CCC3(CCNC3)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-2-24-16-9-14(3-4-15(16)25-13-18(19,20)21)10-23-8-6-17(12-23)5-7-22-11-17/h3-4,9,22H,2,5-8,10-13H2,1H3
InChIKeyPZZXCTNMHLCGIX-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.21
Rot. Bonds6

About 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908585) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908585
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESCCOc1cc(CN2CCC3(CCNC3)C2)ccc1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-2-24-16-9-14(3-4-15(16)25-13-18(19,20)21)10-23-8-6-17(12-23)5-7-22-11-17/h3-4,9,22H,2,5-8,10-13H2,1H3
InChIKeyPZZXCTNMHLCGIX-UHFFFAOYSA-N
XLogP3.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane with MolForge

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Related Compounds

2-[(3-ethoxy-4-propoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908142
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908185
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725
[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
2-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908013
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane
CID 120906848
2-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906820
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908041
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
5-(2,7-diazaspiro[4.4]nonan-2-ylmethyl)-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120908695

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (CID 120908585) is 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is CCOc1cc(CN2CCC3(CCNC3)C2)ccc1OCC(F)(F)F.
What is the InChIKey of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is PZZXCTNMHLCGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-2-24-16-9-14(3-4-15(16)25-13-18(19,20)21)10-23-8-6-17(12-23)5-7-22-11-17/h3-4,9,22H,2,5-8,10-13H2,1H3.
What are the key properties of 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 358.40 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).