[4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine

C9H19F3N2O — CID 103217399

IUPAC[4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine
SMILESCCC(C)CC(COCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-3-7(2)4-8(14-13)5-15-6-9(10,11)12/h7-8,14H,3-6,13H2,1-2H3
InChIKeyKPGDOULVAIQDMC-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.83
Rot. Bonds7

About [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine

[4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine (PubChem CID 103217399) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine
PubChem CID103217399
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name[4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine
SMILESCCC(C)CC(COCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-3-7(2)4-8(14-13)5-15-6-9(10,11)12/h7-8,14H,3-6,13H2,1-2H3
InChIKeyKPGDOULVAIQDMC-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-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

Related Compounds

[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[4-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
CID 103151458
[5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151460
[1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151497
[5-Ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
CID 103151536
[5-Ethyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151573
[4-Ethyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151592
[1-Cyclohexyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151608
[6-Methoxy-4-methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151628
[6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151646
[5-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151652

Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
The IUPAC name of [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine (CID 103217399) is [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine.
What is the SMILES notation for [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
The canonical SMILES for [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine is CCC(C)CC(COCC(F)(F)F)NN.
What is the InChIKey of [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
The InChIKey is KPGDOULVAIQDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-3-7(2)4-8(14-13)5-15-6-9(10,11)12/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine?
[4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine has a molecular weight of 228.26 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-yl]hydrazine is sourced from PubChem (CID 103217399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).