8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H24F4N2O3 — CID 10114968

IUPAC8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCCOC(c3ccc(F)c(F)c3)c3ccc(F)c(F)c3)CC2)O1
InChIInChI=1S/C23H24F4N2O3/c24-17-4-2-15(12-19(17)26)21(16-3-5-18(25)20(27)13-16)31-11-1-8-29-9-6-23(7-10-29)14-28-22(30)32-23/h2-5,12-13,21H,1,6-11,14H2,(H,28,30)
InChIKeyYYTWGBTYYVWRRT-UHFFFAOYSA-N
MW452.45 g/mol
LogP4.31
Rot. Bonds7

About 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10114968) has the molecular formula C23H24F4N2O3 and a molecular weight of 452.45 g/mol. Its IUPAC name is 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10114968
Molecular FormulaC23H24F4N2O3
Molecular Weight452.45 g/mol
Exact Mass452.17
IUPAC Name8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCCOC(c3ccc(F)c(F)c3)c3ccc(F)c(F)c3)CC2)O1
InChIInChI=1S/C23H24F4N2O3/c24-17-4-2-15(12-19(17)26)21(16-3-5-18(25)20(27)13-16)31-11-1-8-29-9-6-23(7-10-29)14-28-22(30)32-23/h2-5,12-13,21H,1,6-11,14H2,(H,28,30)
InChIKeyYYTWGBTYYVWRRT-UHFFFAOYSA-N
XLogP4.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.45
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10114968) is 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCCOC(c3ccc(F)c(F)c3)c3ccc(F)c(F)c3)CC2)O1.
What is the InChIKey of 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is YYTWGBTYYVWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4N2O3/c24-17-4-2-15(12-19(17)26)21(16-3-5-18(25)20(27)13-16)31-11-1-8-29-9-6-23(7-10-29)14-28-22(30)32-23/h2-5,12-13,21H,1,6-11,14H2,(H,28,30).
What are the key properties of 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 452.45 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[bis(3,4-difluorophenyl)methoxy]propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10114968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).