1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine

C9H15F3N2O — CID 103151467

IUPAC1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine
SMILESCC#CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H15F3N2O/c1-2-3-4-8(14-13)5-6-15-7-9(10,11)12/h8,14H,4-7,13H2,1H3
InChIKeyLXGKILODBPRLQE-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.20
Rot. Bonds6

About 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine

1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine (PubChem CID 103151467) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine
PubChem CID103151467
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine
SMILESCC#CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H15F3N2O/c1-2-3-4-8(14-13)5-6-15-7-9(10,11)12/h8,14H,4-7,13H2,1H3
InChIKeyLXGKILODBPRLQE-UHFFFAOYSA-N
XLogP1.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine 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-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine (CID 103151467) is 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine is CC#CCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine?
The InChIKey is LXGKILODBPRLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-2-3-4-8(14-13)5-6-15-7-9(10,11)12/h8,14H,4-7,13H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine has a molecular weight of 224.23 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)hept-5-yn-3-ylhydrazine is sourced from PubChem (CID 103151467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).