3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide

C8H16F3N3O — CID 63583924

IUPAC3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCC(C)N(CCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-6(2)14(5-8(9,10)11)4-3-7(15)13-12/h6H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyIVVDXAHCCYDNBT-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.64
Rot. Bonds5

About 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide

3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide (PubChem CID 63583924) has the molecular formula C8H16F3N3O and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide
PubChem CID63583924
Molecular FormulaC8H16F3N3O
Molecular Weight227.23 g/mol
Exact Mass227.12
IUPAC Name3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCC(C)N(CCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C8H16F3N3O/c1-6(2)14(5-8(9,10)11)4-3-7(15)13-12/h6H,3-5,12H2,1-2H3,(H,13,15)
InChIKeyIVVDXAHCCYDNBT-UHFFFAOYSA-N
XLogP0.64
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The IUPAC name of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide (CID 63583924) is 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide.
What is the SMILES notation for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The canonical SMILES for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide is CC(C)N(CCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The InChIKey is IVVDXAHCCYDNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O/c1-6(2)14(5-8(9,10)11)4-3-7(15)13-12/h6H,3-5,12H2,1-2H3,(H,13,15).
What are the key properties of 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide?
3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide has a molecular weight of 227.23 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propanehydrazide is sourced from PubChem (CID 63583924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).