[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium

C15H19F2N2O5- — CID 163510447

IUPAC[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium
SMILESCC1(COC(F)F)Cc2cc([NH+]([O-])[O-])c(N3CCOCC3)cc2O1
InChIInChI=1S/C15H19F2N2O5/c1-15(9-23-14(16)17)8-10-6-12(19(20)21)11(7-13(10)24-15)18-2-4-22-5-3-18/h6-7,14,19H,2-5,8-9H2,1H3/q-1
InChIKeyDCGGXOFHXKPHOB-UHFFFAOYSA-N
MW345.32 g/mol
LogP0.97
Rot. Bonds5

About [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium

[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium (PubChem CID 163510447) has the molecular formula C15H19F2N2O5- and a molecular weight of 345.32 g/mol. Its IUPAC name is [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium.

Molecular Properties

Compound Name[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium
PubChem CID163510447
Molecular FormulaC15H19F2N2O5-
Molecular Weight345.32 g/mol
Exact Mass345.13
IUPAC Name[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium
SMILESCC1(COC(F)F)Cc2cc([NH+]([O-])[O-])c(N3CCOCC3)cc2O1
InChIInChI=1S/C15H19F2N2O5/c1-15(9-23-14(16)17)8-10-6-12(19(20)21)11(7-13(10)24-15)18-2-4-22-5-3-18/h6-7,14,19H,2-5,8-9H2,1H3/q-1
InChIKeyDCGGXOFHXKPHOB-UHFFFAOYSA-N
XLogP0.97
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(methoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284277
2-(5-amino-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-2-yl)ethanol
CID 129284216
N,2,2-trimethyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 167038773
2-(2-methyl-6-morpholin-4-yl-5-nitroso-3H-1-benzofuran-2-yl)ethanol
CID 129298671
1-fluoro-2-methyl-1-(2-methyl-6-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-yl)propan-2-ol
CID 129284011
2-cyclopropyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-amine
CID 129284594
methoxy-(1'-methyl-6-morpholin-4-ylspiro[3H-1-benzofuran-2,4'-piperidine]-5-yl)-oxoazanium
CID 166004635
N-[(2S)-2-(2-hydroxy-2-methylpropyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284777
N-[(2R)-2-ethyl-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284178
6-fluoro-N-[2-(hydroxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129284298
N-[2-(iodomethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 167375705
[5-amino-2-methyl-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3H-1-benzofuran-2-yl]methanol
CID 129298445

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium?
The IUPAC name of [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium (CID 163510447) is [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium.
What is the SMILES notation for [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium?
The canonical SMILES for [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium is CC1(COC(F)F)Cc2cc([NH+]([O-])[O-])c(N3CCOCC3)cc2O1.
What is the InChIKey of [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium?
The InChIKey is DCGGXOFHXKPHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N2O5/c1-15(9-23-14(16)17)8-10-6-12(19(20)21)11(7-13(10)24-15)18-2-4-22-5-3-18/h6-7,14,19H,2-5,8-9H2,1H3/q-1.
What are the key properties of [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium?
[2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium has a molecular weight of 345.32 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxymethyl)-2-methyl-6-morpholin-4-yl-3H-1-benzofuran-5-yl]-dioxidoazanium is sourced from PubChem (CID 163510447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).