2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide

C8H14F3N3O — CID 63584288

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCC(C(=O)NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N3O/c1-5(7(15)13-12)14(6-2-3-6)4-8(9,10)11/h5-6H,2-4,12H2,1H3,(H,13,15)
InChIKeyIXHGNWUMKSWPFX-UHFFFAOYSA-N
MW225.21 g/mol
LogP0.39
Rot. Bonds4

About 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide

2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide (PubChem CID 63584288) has the molecular formula C8H14F3N3O and a molecular weight of 225.21 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide
PubChem CID63584288
Molecular FormulaC8H14F3N3O
Molecular Weight225.21 g/mol
Exact Mass225.11
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCC(C(=O)NN)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3N3O/c1-5(7(15)13-12)14(6-2-3-6)4-8(9,10)11/h5-6H,2-4,12H2,1H3,(H,13,15)
InChIKeyIXHGNWUMKSWPFX-UHFFFAOYSA-N
XLogP0.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 50.39
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 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide (CID 63584288) is 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide is CC(C(=O)NN)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The InChIKey is IXHGNWUMKSWPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O/c1-5(7(15)13-12)14(6-2-3-6)4-8(9,10)11/h5-6H,2-4,12H2,1H3,(H,13,15).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide has a molecular weight of 225.21 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)amino]propanehydrazide is sourced from PubChem (CID 63584288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).