5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide

C10H20F3N3O — CID 63584845

IUPAC5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide
SMILESCC(C)N(CCCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-8(2)16(7-10(11,12)13)6-4-3-5-9(17)15-14/h8H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyZORLCVQIHNENDJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.42
Rot. Bonds7

About 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide

5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide (PubChem CID 63584845) has the molecular formula C10H20F3N3O and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide.

Molecular Properties

Compound Name5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide
PubChem CID63584845
Molecular FormulaC10H20F3N3O
Molecular Weight255.28 g/mol
Exact Mass255.16
IUPAC Name5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide
SMILESCC(C)N(CCCCC(=O)NN)CC(F)(F)F
InChIInChI=1S/C10H20F3N3O/c1-8(2)16(7-10(11,12)13)6-4-3-5-9(17)15-14/h8H,3-7,14H2,1-2H3,(H,15,17)
InChIKeyZORLCVQIHNENDJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
The IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide (CID 63584845) is 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide.
What is the SMILES notation for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
The canonical SMILES for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide is CC(C)N(CCCCC(=O)NN)CC(F)(F)F.
What is the InChIKey of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
The InChIKey is ZORLCVQIHNENDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O/c1-8(2)16(7-10(11,12)13)6-4-3-5-9(17)15-14/h8H,3-7,14H2,1-2H3,(H,15,17).
What are the key properties of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide?
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide has a molecular weight of 255.28 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanehydrazide is sourced from PubChem (CID 63584845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).