3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide

C9H18F3N3O — CID 79409219

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
SMILESCCN(CC(F)(F)F)C(C)C(C)C(=O)NN
InChIInChI=1S/C9H18F3N3O/c1-4-15(5-9(10,11)12)7(3)6(2)8(16)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyAVQBBUCSBOYPJO-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.89
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide

3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide (PubChem CID 79409219) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
PubChem CID79409219
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
SMILESCCN(CC(F)(F)F)C(C)C(C)C(=O)NN
InChIInChI=1S/C9H18F3N3O/c1-4-15(5-9(10,11)12)7(3)6(2)8(16)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyAVQBBUCSBOYPJO-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.89
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-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide (CID 79409219) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide is CCN(CC(F)(F)F)C(C)C(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide?
The InChIKey is AVQBBUCSBOYPJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-4-15(5-9(10,11)12)7(3)6(2)8(16)14-13/h6-7H,4-5,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide?
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide has a molecular weight of 241.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide is sourced from PubChem (CID 79409219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).