[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

C16H17F2N2O4+ — CID 7999044

About [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (PubChem CID 7999044) has the molecular formula C16H17F2N2O4+ and a molecular weight of 339.32 g/mol. Its IUPAC name is [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

Molecular Properties

• Compound Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
• PubChem CID: 7999044
• Molecular Formula: C16H17F2N2O4+
• Molecular Weight: 339.32 g/mol
• Exact Mass: 339.12
• IUPAC Name: [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium
• SMILES: Cc1ccc(C[NH+](C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)o1
• InChI: InChI=1S/C16H16F2N2O4/c1-10-3-5-12(22-10)8-20(2)9-15(21)19-11-4-6-13-14(7-11)24-16(17,18)23-13/h3-7H,8-9H2,1-2H3,(H,19,21)/p+1
• InChIKey: MAHGUJPNQZZYMQ-UHFFFAOYSA-O
• XLogP: 1.56
• TPSA: 65.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.32
LogP ≤ 5	1.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?

The IUPAC name of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium (CID 7999044) is [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium.

What is the SMILES notation for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?

The canonical SMILES for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is Cc1ccc(C[NH+](C)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)o1.

What is the InChIKey of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?

The InChIKey is MAHGUJPNQZZYMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16F2N2O4/c1-10-3-5-12(22-10)8-20(2)9-15(21)19-11-4-6-13-14(7-11)24-16(17,18)23-13/h3-7H,8-9H2,1-2H3,(H,19,21)/p+1.

What are the key properties of [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium?

[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium has a molecular weight of 339.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methyl-[(5-methylfuran-2-yl)methyl]azanium is sourced from PubChem (CID 7999044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).