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

C9H12F3N3O2 — CID 63574283

IUPAC2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1occc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-15(5-9(10,11)12)4-7-6(2-3-17-7)8(16)14-13/h2-3H,4-5,13H2,1H3,(H,14,16)
InChIKeyYDRHBOIWCDOBSQ-UHFFFAOYSA-N
MW251.21 g/mol
LogP0.88
Rot. Bonds4

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

2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide (PubChem CID 63574283) has the molecular formula C9H12F3N3O2 and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
PubChem CID63574283
Molecular FormulaC9H12F3N3O2
Molecular Weight251.21 g/mol
Exact Mass251.09
IUPAC Name2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide
SMILESCN(Cc1occc1C(=O)NN)CC(F)(F)F
InChIInChI=1S/C9H12F3N3O2/c1-15(5-9(10,11)12)4-7-6(2-3-17-7)8(16)14-13/h2-3H,4-5,13H2,1H3,(H,14,16)
InChIKeyYDRHBOIWCDOBSQ-UHFFFAOYSA-N
XLogP0.88
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 50.88
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]furan-3-carbohydrazide?
The IUPAC name of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide (CID 63574283) is 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide is CN(Cc1occc1C(=O)NN)CC(F)(F)F.
What is the InChIKey of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
The InChIKey is YDRHBOIWCDOBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O2/c1-15(5-9(10,11)12)4-7-6(2-3-17-7)8(16)14-13/h2-3H,4-5,13H2,1H3,(H,14,16).
What are the key properties of 2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide?
2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]furan-3-carbohydrazide has a molecular weight of 251.21 g/mol, XLogP of 0.88, 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]furan-3-carbohydrazide is sourced from PubChem (CID 63574283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).