8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C15H18F3NO2 — CID 6468839

IUPAC8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1cccc(CN2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13-3-1-2-12(10-13)11-19-6-4-14(5-7-19)20-8-9-21-14/h1-3,10H,4-9,11H2
InChIKeyXKBCOESFTABFEM-UHFFFAOYSA-N
MW301.31 g/mol
LogP3.04
Rot. Bonds2

About 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6468839) has the molecular formula C15H18F3NO2 and a molecular weight of 301.31 g/mol. Its IUPAC name is 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6468839
Molecular FormulaC15H18F3NO2
Molecular Weight301.31 g/mol
Exact Mass301.13
IUPAC Name8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFC(F)(F)c1cccc(CN2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C15H18F3NO2/c16-15(17,18)13-3-1-2-12(10-13)11-19-6-4-14(5-7-19)20-8-9-21-14/h1-3,10H,4-9,11H2
InChIKeyXKBCOESFTABFEM-UHFFFAOYSA-N
XLogP3.04
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane with MolForge

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Related Compounds

AJ-190/13485012
CID 899309
4-[3-(Trifluoromethyl)benzyl]morpholine
CID 1070044
(7R,9S)-9-phenyl-7-(trifluoromethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 12170411
8-Benzyl-1,4-dioxa-8-azaspiro[4.5]decane
CID 726449
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl[3-(trifluoromethyl)phenyl]methanone
CID 17250050
4-(Oxolan-3-yloxy)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 71863110
8-(2,3-Difluoro-4-methylbenzyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 77094668
5-(1,4-Dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-2-fluorobenzonitrile
CID 84591974
4-[(3S)-oxolan-3-yl]oxy-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 97014206
(3aS,7R,7aS)-5-benzyl-7-fluoro-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine
CID 9993032
8-[(2-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6464317
8-[(3-Fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091

Frequently Asked Questions

What is the IUPAC name of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 6468839) is 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is FC(F)(F)c1cccc(CN2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is XKBCOESFTABFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO2/c16-15(17,18)13-3-1-2-12(10-13)11-19-6-4-14(5-7-19)20-8-9-21-14/h1-3,10H,4-9,11H2.
What are the key properties of 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 301.31 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-(trifluoromethyl)phenyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6468839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).