1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine

C9H17F3N2O — CID 103151688

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

About 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine

1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine (PubChem CID 103151688) 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-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine
PubChem CID103151688
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine
SMILESC=CCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C9H17F3N2O/c1-2-3-4-8(14-13)5-6-15-7-9(10,11)12/h2,8,14H,1,3-7,13H2
InChIKeyYYSPXBZBIKYOHU-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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Related Compounds

1-(2,2,2-Trifluoroethoxy)hept-6-en-3-amine
CID 103148071
1-(2,2-Difluoroethoxy)hept-6-en-3-amine
CID 103148953
[6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-yl]hydrazine
CID 103151449
1-(2,2,2-Trifluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151475
[5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151481
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151489
1-(2,2,2-Trifluoroethoxy)oct-7-en-3-ylhydrazine
CID 103151682
[5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-yl]hydrazine
CID 103151729
[1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-yl]hydrazine
CID 103151769
1-(2,2-Difluoroethoxy)hex-5-en-3-ylhydrazine
CID 103151793
[1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-yl]hydrazine
CID 103151798
5-(2,2-Difluoroethoxy)pent-1-en-3-ylhydrazine
CID 103151808

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine (CID 103151688) is 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine is C=CCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine?
The InChIKey is YYSPXBZBIKYOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-2-3-4-8(14-13)5-6-15-7-9(10,11)12/h2,8,14H,1,3-7,13H2.
What are the key properties of 1-(2,2,2-trifluoroethoxy)hept-6-en-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)hept-6-en-3-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-3-ylhydrazine is sourced from PubChem (CID 103151688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).