1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine

C10H21F3N2O — CID 103151463

IUPAC1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine
SMILESCCCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N2O/c1-2-3-4-5-9(15-14)6-7-16-8-10(11,12)13/h9,15H,2-8,14H2,1H3
InChIKeyOMMBFIXNKUZJRM-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.37
Rot. Bonds9

About 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine

1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine (PubChem CID 103151463) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine
PubChem CID103151463
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine
SMILESCCCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N2O/c1-2-3-4-5-9(15-14)6-7-16-8-10(11,12)13/h9,15H,2-8,14H2,1H3
InChIKeyOMMBFIXNKUZJRM-UHFFFAOYSA-N
XLogP2.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.37
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'}

Analyze 1-(2,2,2-trifluoroethoxy)octan-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)octan-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine (CID 103151463) is 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine is CCCCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine?
The InChIKey is OMMBFIXNKUZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-2-3-4-5-9(15-14)6-7-16-8-10(11,12)13/h9,15H,2-8,14H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)octan-3-ylhydrazine has a molecular weight of 242.28 g/mol, XLogP of 2.37, 9 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)octan-3-ylhydrazine is sourced from PubChem (CID 103151463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).