2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide

C13H14F3N3O2 — CID 63572591

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCN(Cc1oc2ccccc2c1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C13H14F3N3O2/c1-19(7-13(14,15)16)6-10-11(12(20)18-17)8-4-2-3-5-9(8)21-10/h2-5H,6-7,17H2,1H3,(H,18,20)
InChIKeyLYKXTOKOUIMWKX-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.03
Rot. Bonds4

About 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide (PubChem CID 63572591) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
PubChem CID63572591
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide
SMILESCN(Cc1oc2ccccc2c1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C13H14F3N3O2/c1-19(7-13(14,15)16)6-10-11(12(20)18-17)8-4-2-3-5-9(8)21-10/h2-5H,6-7,17H2,1H3,(H,18,20)
InChIKeyLYKXTOKOUIMWKX-UHFFFAOYSA-N
XLogP2.03
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide (CID 63572591) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide is CN(Cc1oc2ccccc2c1C(=O)NN)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
The InChIKey is LYKXTOKOUIMWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-19(7-13(14,15)16)6-10-11(12(20)18-17)8-4-2-3-5-9(8)21-10/h2-5H,6-7,17H2,1H3,(H,18,20).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide has a molecular weight of 301.27 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-1-benzofuran-3-carbohydrazide is sourced from PubChem (CID 63572591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).