[6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine

C10H21F3N2O — CID 103151646

IUPAC[6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCC(C)CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N2O/c1-8(2)3-4-9(15-14)5-6-16-7-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeyHKZXSSPTZCZEKZ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.22
Rot. Bonds8

About [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine

[6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (PubChem CID 103151646) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
PubChem CID103151646
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name[6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
SMILESCC(C)CCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C10H21F3N2O/c1-8(2)3-4-9(15-14)5-6-16-7-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3
InChIKeyHKZXSSPTZCZEKZ-UHFFFAOYSA-N
XLogP2.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.22
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 [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-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 [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The IUPAC name of [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine (CID 103151646) is [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine.
What is the SMILES notation for [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The canonical SMILES for [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is CC(C)CCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
The InChIKey is HKZXSSPTZCZEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-8(2)3-4-9(15-14)5-6-16-7-10(11,12)13/h8-9,15H,3-7,14H2,1-2H3.
What are the key properties of [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine?
[6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine has a molecular weight of 242.28 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine is sourced from PubChem (CID 103151646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).