3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide

C9H18F3N3O — CID 79626181

IUPAC3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
SMILESCCN(CC(F)(F)F)CC(C)(C)C(=O)NN
InChIInChI=1S/C9H18F3N3O/c1-4-15(6-9(10,11)12)5-8(2,3)7(16)14-13/h4-6,13H2,1-3H3,(H,14,16)
InChIKeyLAONHPJRRRHHRC-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.89
Rot. Bonds5

About 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide

3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide (PubChem CID 79626181) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
PubChem CID79626181
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide
SMILESCCN(CC(F)(F)F)CC(C)(C)C(=O)NN
InChIInChI=1S/C9H18F3N3O/c1-4-15(6-9(10,11)12)5-8(2,3)7(16)14-13/h4-6,13H2,1-3H3,(H,14,16)
InChIKeyLAONHPJRRRHHRC-UHFFFAOYSA-N
XLogP0.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.89
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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Related Compounds

3-[ethyl(2-hydroxyethyl)amino]-2,2-dimethylpropanehydrazide
CID 79626659
3-[2-hydroxyethyl(propyl)amino]-2,2-dimethylpropanehydrazide
CID 79630779
2-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpropan-1-ol
CID 64826486
N,N-diethyl-2-[(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-methylamino]acetamide
CID 79630687
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
2,2-dimethyl-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 62272694
2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]benzohydrazide
CID 63583548
3-amino-2,2-dimethylpropanehydrazide
CID 115426740
methyl 2-amino-2-cyclopropyl-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 63910738
2-[ethyl(methyl)amino]-2-methylpropanehydrazide
CID 130636692
1-N-ethyl-2,2-dimethyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 66455583
3-amino-1-methyl-1-(2,2,2-trifluoroethyl)urea;hydrochloride
CID 90317680

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide (CID 79626181) is 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide is CCN(CC(F)(F)F)CC(C)(C)C(=O)NN.
What is the InChIKey of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide?
The InChIKey is LAONHPJRRRHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-4-15(6-9(10,11)12)5-8(2,3)7(16)14-13/h4-6,13H2,1-3H3,(H,14,16).
What are the key properties of 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide?
3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide has a molecular weight of 241.26 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79626181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).