3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide

C10H20F3N3O — CID 63584849

IUPAC3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCCN(CC(F)(F)F)C(C(=O)NN)C(C)C
InChIInChI=1S/C10H20F3N3O/c1-4-5-16(6-10(11,12)13)8(7(2)3)9(17)15-14/h7-8H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyPDVQNLOQGLFWSA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.28
Rot. Bonds6

About 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide

3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63584849) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63584849
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCCN(CC(F)(F)F)C(C(=O)NN)C(C)C
InChIInChI=1S/C10H20F3N3O/c1-4-5-16(6-10(11,12)13)8(7(2)3)9(17)15-14/h7-8H,4-6,14H2,1-3H3,(H,15,17)
InChIKeyPDVQNLOQGLFWSA-UHFFFAOYSA-N
XLogP1.28
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

Analyze 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63584849) is 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CCCN(CC(F)(F)F)C(C(=O)NN)C(C)C.
What is the InChIKey of 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is PDVQNLOQGLFWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-4-5-16(6-10(11,12)13)8(7(2)3)9(17)15-14/h7-8H,4-6,14H2,1-3H3,(H,15,17).
What are the key properties of 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 255.28 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[propyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63584849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).