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

C7H14F3N3O — CID 63574281

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(5-7(8,9)10)4-2-3-6(14)12-11/h2-5,11H2,1H3,(H,12,14)
InChIKeyKDWUZWJRIAKBJJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.25
Rot. Bonds5

About 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide

4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63574281) has the molecular formula C7H14F3N3O and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63574281
Molecular FormulaC7H14F3N3O
Molecular Weight213.20 g/mol
Exact Mass213.11
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCN(CCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C7H14F3N3O/c1-13(5-7(8,9)10)4-2-3-6(14)12-11/h2-5,11H2,1H3,(H,12,14)
InChIKeyKDWUZWJRIAKBJJ-UHFFFAOYSA-N
XLogP0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.25
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 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63574281) is 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CN(CCCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is KDWUZWJRIAKBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O/c1-13(5-7(8,9)10)4-2-3-6(14)12-11/h2-5,11H2,1H3,(H,12,14).
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 213.20 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63574281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).