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

C8H16F3N3O — CID 63574282

IUPAC3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-5(2)6(7(15)13-12)14(3)4-8(9,10)11/h5-6H,4,12H2,1-3H3,(H,13,15)
InChIKeyPLZNUNYGRWCCCH-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.50
Rot. Bonds4

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

3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63574282) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63574282
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-5(2)6(7(15)13-12)14(3)4-8(9,10)11/h5-6H,4,12H2,1-3H3,(H,13,15)
InChIKeyPLZNUNYGRWCCCH-UHFFFAOYSA-N
XLogP0.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.50
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63574282) is 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CC(C)C(C(=O)NN)N(C)CC(F)(F)F.
What is the InChIKey of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is PLZNUNYGRWCCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-5(2)6(7(15)13-12)14(3)4-8(9,10)11/h5-6H,4,12H2,1-3H3,(H,13,15).
What are the key properties of 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 227.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63574282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).