8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H24F4N2O3 — CID 139975983

IUPAC8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCC(Oc3cccc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C23H24F4N2O3/c24-18-6-4-16(5-7-18)20(31-19-3-1-2-17(14-19)23(25,26)27)8-11-29-12-9-22(10-13-29)15-28-21(30)32-22/h1-7,14,20H,8-13,15H2,(H,28,30)
InChIKeyAITBIHVDUOKQLT-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.93
Rot. Bonds6

About 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 139975983) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID139975983
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCC(Oc3cccc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1
InChIInChI=1S/C23H24F4N2O3/c24-18-6-4-16(5-7-18)20(31-19-3-1-2-17(14-19)23(25,26)27)8-11-29-12-9-22(10-13-29)15-28-21(30)32-22/h1-7,14,20H,8-13,15H2,(H,28,30)
InChIKeyAITBIHVDUOKQLT-UHFFFAOYSA-N
XLogP4.93
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-[3-(3,5-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975846
8-[(3S)-3-(4-fluorophenoxy)-3-(4-fluorophenyl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975937
8-[3-(2,6-difluorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 139975845
4-[3-phenyl-3-[3-(trifluoromethyl)phenoxy]propyl]morpholine
CID 42867737
4-[3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]propoxy]benzonitrile
CID 139975950
8-[1-methoxy-3,3-bis[3-(trifluoromethyl)phenyl]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 10279456
N,N-dimethyl-3-[3-morpholin-4-yl-1-[3-(trifluoromethyl)phenyl]propoxy]aniline
CID 42867932
1-[2-phenyl-2-[3-(trifluoromethyl)phenoxy]ethyl]pyrrolidine
CID 117068544
4-(6-fluoro-2-oxospiro[1H-3,1-benzoxazine-4,4'-piperidine]-1'-yl)-2-(4-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 59763424
1-[3-(4-chlorophenoxy)-3-[3-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 42867935
4-[1-(4-fluorophenyl)-3-[3-(methylsulfanylmethyl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]propoxy]benzonitrile
CID 24886527
8-[2-[bis[3-(trifluoromethyl)phenyl]methoxy]ethyl]-8-methyl-1-oxa-3-aza-8-azoniaspiro[4.5]decan-2-one
CID 139917728

Frequently Asked Questions

What is the IUPAC name of 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 139975983) is 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCC(Oc3cccc(C(F)(F)F)c3)c3ccc(F)cc3)CC2)O1.
What is the InChIKey of 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is AITBIHVDUOKQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c24-18-6-4-16(5-7-18)20(31-19-3-1-2-17(14-19)23(25,26)27)8-11-29-12-9-22(10-13-29)15-28-21(30)32-22/h1-7,14,20H,8-13,15H2,(H,28,30).
What are the key properties of 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 452.45 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(4-fluorophenyl)-3-[3-(trifluoromethyl)phenoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 139975983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).