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

C22H22F4N2O3 — CID 10160307

IUPAC8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCOC(c3ccc(F)cc3F)c3ccc(F)cc3F)CC2)O1
InChIInChI=1S/C22H22F4N2O3/c23-14-1-3-16(18(25)11-14)20(17-4-2-15(24)12-19(17)26)30-10-9-28-7-5-22(6-8-28)13-27-21(29)31-22/h1-4,11-12,20H,5-10,13H2,(H,27,29)
InChIKeyXVIGVRLAFZNKBJ-UHFFFAOYSA-N
MW438.42 g/mol
LogP3.92
Rot. Bonds6

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

8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10160307) has the molecular formula C22H22F4N2O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10160307
Molecular FormulaC22H22F4N2O3
Molecular Weight438.42 g/mol
Exact Mass438.16
IUPAC Name8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCOC(c3ccc(F)cc3F)c3ccc(F)cc3F)CC2)O1
InChIInChI=1S/C22H22F4N2O3/c23-14-1-3-16(18(25)11-14)20(17-4-2-15(24)12-19(17)26)30-10-9-28-7-5-22(6-8-28)13-27-21(29)31-22/h1-4,11-12,20H,5-10,13H2,(H,27,29)
InChIKeyXVIGVRLAFZNKBJ-UHFFFAOYSA-N
XLogP3.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10160307) is 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCOC(c3ccc(F)cc3F)c3ccc(F)cc3F)CC2)O1.
What is the InChIKey of 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is XVIGVRLAFZNKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O3/c23-14-1-3-16(18(25)11-14)20(17-4-2-15(24)12-19(17)26)30-10-9-28-7-5-22(6-8-28)13-27-21(29)31-22/h1-4,11-12,20H,5-10,13H2,(H,27,29).
What are the key properties of 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 438.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[bis(2,4-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10160307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).