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

C9H18F3N3O — CID 63584109

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3N3O/c1-4-7(8(16)14-13)15(6(2)3)5-9(10,11)12/h6-7H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyUQCHWQHEVJTICU-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.03
Rot. Bonds5

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

2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63584109) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63584109
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3N3O/c1-4-7(8(16)14-13)15(6(2)3)5-9(10,11)12/h6-7H,4-5,13H2,1-3H3,(H,14,16)
InChIKeyUQCHWQHEVJTICU-UHFFFAOYSA-N
XLogP1.03
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 ≤ 51.03
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-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63584109) is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide is CCC(C(=O)NN)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is UQCHWQHEVJTICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-4-7(8(16)14-13)15(6(2)3)5-9(10,11)12/h6-7H,4-5,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 241.26 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63584109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).