8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C22H22F4N2O3 — CID 10225112

IUPAC8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCOC(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)CC2)O1
InChIInChI=1S/C22H22F4N2O3/c23-16-7-14(8-17(24)11-16)20(15-9-18(25)12-19(26)10-15)30-6-5-28-3-1-22(2-4-28)13-27-21(29)31-22/h7-12,20H,1-6,13H2,(H,27,29)
InChIKeyCNLAWEPHIPXCGI-UHFFFAOYSA-N
MW438.42 g/mol
LogP3.92
Rot. Bonds6

About 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 10225112) has the molecular formula C22H22F4N2O3 and a molecular weight of 438.42 g/mol. Its IUPAC name is 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID10225112
Molecular FormulaC22H22F4N2O3
Molecular Weight438.42 g/mol
Exact Mass438.16
IUPAC Name8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCN(CCOC(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)CC2)O1
InChIInChI=1S/C22H22F4N2O3/c23-16-7-14(8-17(24)11-16)20(15-9-18(25)12-19(26)10-15)30-6-5-28-3-1-22(2-4-28)13-27-21(29)31-22/h7-12,20H,1-6,13H2,(H,27,29)
InChIKeyCNLAWEPHIPXCGI-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(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 10225112) is 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCN(CCOC(c3cc(F)cc(F)c3)c3cc(F)cc(F)c3)CC2)O1.
What is the InChIKey of 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CNLAWEPHIPXCGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F4N2O3/c23-16-7-14(8-17(24)11-16)20(15-9-18(25)12-19(26)10-15)30-6-5-28-3-1-22(2-4-28)13-27-21(29)31-22/h7-12,20H,1-6,13H2,(H,27,29).
What are the key properties of 8-[2-[bis(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[bis(3,5-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(3,5-difluorophenyl)methoxy]ethyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 10225112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).