[5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine

C13H27F3N2O — CID 103151536

IUPAC[5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
SMILESCCCCC(CC)CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C13H27F3N2O/c1-3-5-6-11(4-2)9-12(18-17)7-8-19-10-13(14,15)16/h11-12,18H,3-10,17H2,1-2H3
InChIKeyFKOVXUKELVVPRR-UHFFFAOYSA-N
MW284.37 g/mol
LogP3.39
Rot. Bonds11

About [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine

[5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine (PubChem CID 103151536) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine.

Molecular Properties

Compound Name[5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
PubChem CID103151536
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC Name[5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
SMILESCCCCC(CC)CC(CCOCC(F)(F)F)NN
InChIInChI=1S/C13H27F3N2O/c1-3-5-6-11(4-2)9-12(18-17)7-8-19-10-13(14,15)16/h11-12,18H,3-10,17H2,1-2H3
InChIKeyFKOVXUKELVVPRR-UHFFFAOYSA-N
XLogP3.39
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 53.39
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'}

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Frequently Asked Questions

What is the IUPAC name of [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine?
The IUPAC name of [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine (CID 103151536) is [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine.
What is the SMILES notation for [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine?
The canonical SMILES for [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine is CCCCC(CC)CC(CCOCC(F)(F)F)NN.
What is the InChIKey of [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine?
The InChIKey is FKOVXUKELVVPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-3-5-6-11(4-2)9-12(18-17)7-8-19-10-13(14,15)16/h11-12,18H,3-10,17H2,1-2H3.
What are the key properties of [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine?
[5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine has a molecular weight of 284.37 g/mol, XLogP of 3.39, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine is sourced from PubChem (CID 103151536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).