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

C10H20F3N3O — CID 63584472

IUPAC3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N3O/c1-6(2)8(9(17)15-14)16(7(3)4)5-10(11,12)13/h6-8H,5,14H2,1-4H3,(H,15,17)
InChIKeyFRCLRECAEBHVMM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.27
Rot. Bonds5

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

3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63584472) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63584472
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)C(C(=O)NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H20F3N3O/c1-6(2)8(9(17)15-14)16(7(3)4)5-10(11,12)13/h6-8H,5,14H2,1-4H3,(H,15,17)
InChIKeyFRCLRECAEBHVMM-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.27
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-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63584472) is 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide is CC(C)C(C(=O)NN)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is FRCLRECAEBHVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-6(2)8(9(17)15-14)16(7(3)4)5-10(11,12)13/h6-8H,5,14H2,1-4H3,(H,15,17).
What are the key properties of 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 255.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63584472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).