8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane

C19H24F3NO — CID 126687700

IUPAC8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc2c(c1CN1CCC3(CCCO3)CC1)CCC2
InChIInChI=1S/C19H24F3NO/c20-19(21,22)17-6-5-14-3-1-4-15(14)16(17)13-23-10-8-18(9-11-23)7-2-12-24-18/h5-6H,1-4,7-13H2
InChIKeyITCCPZNMBBAKAJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.34
Rot. Bonds2

About 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane

8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 126687700) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID126687700
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1ccc2c(c1CN1CCC3(CCCO3)CC1)CCC2
InChIInChI=1S/C19H24F3NO/c20-19(21,22)17-6-5-14-3-1-4-15(14)16(17)13-23-10-8-18(9-11-23)7-2-12-24-18/h5-6H,1-4,7-13H2
InChIKeyITCCPZNMBBAKAJ-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane (CID 126687700) is 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane is FC(F)(F)c1ccc2c(c1CN1CCC3(CCCO3)CC1)CCC2.
What is the InChIKey of 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is ITCCPZNMBBAKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO/c20-19(21,22)17-6-5-14-3-1-4-15(14)16(17)13-23-10-8-18(9-11-23)7-2-12-24-18/h5-6H,1-4,7-13H2.
What are the key properties of 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane?
8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 339.40 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[5-(trifluoromethyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 126687700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).