9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

C21H22F2N2O2 — CID 134809689

IUPAC9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN(Cc3cc(F)ccc3F)C2)CN1Cc1ccccc1
InChIInChI=1S/C21H22F2N2O2/c22-18-6-7-19(23)17(8-18)10-24-12-21(13-24)14-25(20(26)11-27-15-21)9-16-4-2-1-3-5-16/h1-8H,9-15H2
InChIKeyLAOUUFLVWZWYCJ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.83
Rot. Bonds4

About 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134809689) has the molecular formula C21H22F2N2O2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134809689
Molecular FormulaC21H22F2N2O2
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN(Cc3cc(F)ccc3F)C2)CN1Cc1ccccc1
InChIInChI=1S/C21H22F2N2O2/c22-18-6-7-19(23)17(8-18)10-24-12-21(13-24)14-25(20(26)11-27-15-21)9-16-4-2-1-3-5-16/h1-8H,9-15H2
InChIKeyLAOUUFLVWZWYCJ-UHFFFAOYSA-N
XLogP2.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134809689) is 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is O=C1COCC2(CN(Cc3cc(F)ccc3F)C2)CN1Cc1ccccc1.
What is the InChIKey of 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is LAOUUFLVWZWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O2/c22-18-6-7-19(23)17(8-18)10-24-12-21(13-24)14-25(20(26)11-27-15-21)9-16-4-2-1-3-5-16/h1-8H,9-15H2.
What are the key properties of 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 372.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-[(2,5-difluorophenyl)methyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134809689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).