[1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

C8H17F3N2O2 — CID 103151663

IUPAC[1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCCOCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O2/c1-2-14-5-7(13-12)3-4-15-6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyDHKYBHGQOFTKFH-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.82
Rot. Bonds8

About [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine

[1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (PubChem CID 103151663) has the molecular formula C8H17F3N2O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
PubChem CID103151663
Molecular FormulaC8H17F3N2O2
Molecular Weight230.23 g/mol
Exact Mass230.12
IUPAC Name[1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
SMILESCCOCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C8H17F3N2O2/c1-2-14-5-7(13-12)3-4-15-6-8(9,10)11/h7,13H,2-6,12H2,1H3
InChIKeyDHKYBHGQOFTKFH-UHFFFAOYSA-N
XLogP0.82
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.82
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The IUPAC name of [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine (CID 103151663) is [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine.
What is the SMILES notation for [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The canonical SMILES for [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is CCOCC(CCOCC(F)(F)F)NN.
What is the InChIKey of [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
The InChIKey is DHKYBHGQOFTKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F3N2O2/c1-2-14-5-7(13-12)3-4-15-6-8(9,10)11/h7,13H,2-6,12H2,1H3.
What are the key properties of [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine?
[1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine has a molecular weight of 230.23 g/mol, XLogP of 0.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethoxy-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine is sourced from PubChem (CID 103151663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).