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

C9H18F3N3O — CID 63584471

IUPAC4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)N(CCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-7(2)15(6-9(10,11)12)5-3-4-8(16)14-13/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyOIKCDSLRGOQTPP-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.03
Rot. Bonds6

About 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide

4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide (PubChem CID 63584471) has the molecular formula C9H18F3N3O and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide.

Molecular Properties

Compound Name4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
PubChem CID63584471
Molecular FormulaC9H18F3N3O
Molecular Weight241.26 g/mol
Exact Mass241.14
IUPAC Name4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide
SMILESCC(C)N(CCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C9H18F3N3O/c1-7(2)15(6-9(10,11)12)5-3-4-8(16)14-13/h7H,3-6,13H2,1-2H3,(H,14,16)
InChIKeyOIKCDSLRGOQTPP-UHFFFAOYSA-N
XLogP1.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The IUPAC name of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide (CID 63584471) is 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide.
What is the SMILES notation for 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The canonical SMILES for 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide is CC(C)N(CCCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
The InChIKey is OIKCDSLRGOQTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O/c1-7(2)15(6-9(10,11)12)5-3-4-8(16)14-13/h7H,3-6,13H2,1-2H3,(H,14,16).
What are the key properties of 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide?
4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide has a molecular weight of 241.26 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanehydrazide is sourced from PubChem (CID 63584471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).