2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide

C10H14F3N3O2 — CID 55214026

IUPAC2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
SMILESCc1oc(CN(C)CC(F)(F)F)cc1C(=O)NN
InChIInChI=1S/C10H14F3N3O2/c1-6-8(9(17)15-14)3-7(18-6)4-16(2)5-10(11,12)13/h3H,4-5,14H2,1-2H3,(H,15,17)
InChIKeyVDKOWRLZXJARLJ-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.19
Rot. Bonds4

About 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide

2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 55214026) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
PubChem CID55214026
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
SMILESCc1oc(CN(C)CC(F)(F)F)cc1C(=O)NN
InChIInChI=1S/C10H14F3N3O2/c1-6-8(9(17)15-14)3-7(18-6)4-16(2)5-10(11,12)13/h3H,4-5,14H2,1-2H3,(H,15,17)
InChIKeyVDKOWRLZXJARLJ-UHFFFAOYSA-N
XLogP1.19
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.19
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-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide (CID 55214026) is 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide is Cc1oc(CN(C)CC(F)(F)F)cc1C(=O)NN.
What is the InChIKey of 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is VDKOWRLZXJARLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6-8(9(17)15-14)3-7(18-6)4-16(2)5-10(11,12)13/h3H,4-5,14H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 265.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide is sourced from PubChem (CID 55214026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).