1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine

C9H17F3N2O — CID 103217531

IUPAC1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine
SMILESC=CCCCC(COCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-2-3-4-5-8(14-13)6-15-7-9(10,11)12/h2,8,14H,1,3-7,13H2
InChIKeyVKUXDBOKEPPIMX-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.75
Rot. Bonds8

About 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine

1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine (PubChem CID 103217531) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine
PubChem CID103217531
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine
SMILESC=CCCCC(COCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-2-3-4-5-8(14-13)6-15-7-9(10,11)12/h2,8,14H,1,3-7,13H2
InChIKeyVKUXDBOKEPPIMX-UHFFFAOYSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.75
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': 'isolated_alkene', '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-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine (CID 103217531) is 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine is C=CCCCC(COCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine?
The InChIKey is VKUXDBOKEPPIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-3-4-5-8(14-13)6-15-7-9(10,11)12/h2,8,14H,1,3-7,13H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine?
1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine has a molecular weight of 226.24 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)hept-6-en-2-ylhydrazine is sourced from PubChem (CID 103217531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).