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

C8H16F3N3O — CID 63583000

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCN(CCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-14(6-8(9,10)11)5-3-4-7(15)13-12/h2-6,12H2,1H3,(H,13,15)
InChIKeyNIEKBQPFSSTALH-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.64
Rot. Bonds6

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

4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63583000) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63583000
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCN(CCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-2-14(6-8(9,10)11)5-3-4-7(15)13-12/h2-6,12H2,1H3,(H,13,15)
InChIKeyNIEKBQPFSSTALH-UHFFFAOYSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.64
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-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63583000) is 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide is CCN(CCCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is NIEKBQPFSSTALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-2-14(6-8(9,10)11)5-3-4-7(15)13-12/h2-6,12H2,1H3,(H,13,15).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide?
4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 227.23 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63583000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).