4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

C22H24F2N2O2 — CID 134806234

IUPAC4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(Cc2ccccc2F)CCOC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C22H24F2N2O2/c23-19-7-3-1-5-17(19)15-25-11-9-22(10-12-25)21(27)26(13-14-28-22)16-18-6-2-4-8-20(18)24/h1-8H,9-16H2
InChIKeyQOOKSVAJNRLAET-UHFFFAOYSA-N
MW386.44 g/mol
LogP3.36
Rot. Bonds4

About 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one

4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (PubChem CID 134806234) has the molecular formula C22H24F2N2O2 and a molecular weight of 386.44 g/mol. Its IUPAC name is 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
PubChem CID134806234
Molecular FormulaC22H24F2N2O2
Molecular Weight386.44 g/mol
Exact Mass386.18
IUPAC Name4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
SMILESO=C1N(Cc2ccccc2F)CCOC12CCN(Cc1ccccc1F)CC2
InChIInChI=1S/C22H24F2N2O2/c23-19-7-3-1-5-17(19)15-25-11-9-22(10-12-25)21(27)26(13-14-28-22)16-18-6-2-4-8-20(18)24/h1-8H,9-16H2
InChIKeyQOOKSVAJNRLAET-UHFFFAOYSA-N
XLogP3.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The IUPAC name of 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one (CID 134806234) is 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The canonical SMILES for 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is O=C1N(Cc2ccccc2F)CCOC12CCN(Cc1ccccc1F)CC2.
What is the InChIKey of 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
The InChIKey is QOOKSVAJNRLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O2/c23-19-7-3-1-5-17(19)15-25-11-9-22(10-12-25)21(27)26(13-14-28-22)16-18-6-2-4-8-20(18)24/h1-8H,9-16H2.
What are the key properties of 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one?
4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one has a molecular weight of 386.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-bis[(2-fluorophenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 134806234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).