[1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C9H19F3N2O2 — CID 103151739

IUPAC[1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCCCOCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O2/c1-2-4-15-6-8(14-13)3-5-16-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyZZEWLHGQYQIQDB-UHFFFAOYSA-N
MW244.26 g/mol
LogP1.21
Rot. Bonds9

About [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151739) has the molecular formula C9H19F3N2O2 and a molecular weight of 244.26 g/mol. Its IUPAC name is [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151739
Molecular FormulaC9H19F3N2O2
Molecular Weight244.26 g/mol
Exact Mass244.14
IUPAC Name[1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCCCOCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O2/c1-2-4-15-6-8(14-13)3-5-16-7-9(10,11)12/h8,14H,2-7,13H2,1H3
InChIKeyZZEWLHGQYQIQDB-UHFFFAOYSA-N
XLogP1.21
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine 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 [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151739) is [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is CCCOCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is ZZEWLHGQYQIQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O2/c1-2-4-15-6-8(14-13)3-5-16-7-9(10,11)12/h8,14H,2-7,13H2,1H3.
What are the key properties of [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 244.26 g/mol, XLogP of 1.21, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-propoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).