[4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine

C7H16F2N2O2 — CID 103151836

IUPAC[4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine
SMILESCOCC(CCOCC(F)F)NN
InChIInChI=1S/C7H16F2N2O2/c1-12-4-6(11-10)2-3-13-5-7(8)9/h6-7,11H,2-5,10H2,1H3
InChIKeyGJBCKJSEQTZFRX-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.14
Rot. Bonds8

About [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine

[4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine (PubChem CID 103151836) has the molecular formula C7H16F2N2O2 and a molecular weight of 198.21 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine
PubChem CID103151836
Molecular FormulaC7H16F2N2O2
Molecular Weight198.21 g/mol
Exact Mass198.12
IUPAC Name[4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine
SMILESCOCC(CCOCC(F)F)NN
InChIInChI=1S/C7H16F2N2O2/c1-12-4-6(11-10)2-3-13-5-7(8)9/h6-7,11H,2-5,10H2,1H3
InChIKeyGJBCKJSEQTZFRX-UHFFFAOYSA-N
XLogP0.14
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.14
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 [4-(2,2-difluoroethoxy)-1-methoxybutan-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 [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine?
The IUPAC name of [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine (CID 103151836) is [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine is COCC(CCOCC(F)F)NN.
What is the InChIKey of [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine?
The InChIKey is GJBCKJSEQTZFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16F2N2O2/c1-12-4-6(11-10)2-3-13-5-7(8)9/h6-7,11H,2-5,10H2,1H3.
What are the key properties of [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine?
[4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine has a molecular weight of 198.21 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-1-methoxybutan-2-yl]hydrazine is sourced from PubChem (CID 103151836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).