3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide

C6H12F3N3O — CID 63573902

IUPAC3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCN(CCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-12(4-6(7,8)9)3-2-5(13)11-10/h2-4,10H2,1H3,(H,11,13)
InChIKeyWSGDKOFIVHTWAG-UHFFFAOYSA-N
MW199.18 g/mol
LogP-0.14
Rot. Bonds4

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

3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide (PubChem CID 63573902) has the molecular formula C6H12F3N3O and a molecular weight of 199.18 g/mol. Its IUPAC name is 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide.

Molecular Properties

Compound Name3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
PubChem CID63573902
Molecular FormulaC6H12F3N3O
Molecular Weight199.18 g/mol
Exact Mass199.09
IUPAC Name3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide
SMILESCN(CCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C6H12F3N3O/c1-12(4-6(7,8)9)3-2-5(13)11-10/h2-4,10H2,1H3,(H,11,13)
InChIKeyWSGDKOFIVHTWAG-UHFFFAOYSA-N
XLogP-0.14
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 5-0.14
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-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The IUPAC name of 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide (CID 63573902) is 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide.
What is the SMILES notation for 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The canonical SMILES for 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide is CN(CCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
The InChIKey is WSGDKOFIVHTWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N3O/c1-12(4-6(7,8)9)3-2-5(13)11-10/h2-4,10H2,1H3,(H,11,13).
What are the key properties of 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide?
3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide has a molecular weight of 199.18 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2,2,2-trifluoroethyl)amino]propanehydrazide is sourced from PubChem (CID 63573902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).