[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine

C14H17FN2O — CID 134448938

IUPAC[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine
SMILESC#C/C=C(NN)\C(C)=C/COC1C=CC=CC1F
InChIInChI=1S/C14H17FN2O/c1-3-6-13(17-16)11(2)9-10-18-14-8-5-4-7-12(14)15/h1,4-9,12,14,17H,10,16H2,2H3/b11-9-,13-6+
InChIKeyFAOUAHMIPAZIMD-IWEOQNIOSA-N
MW248.30 g/mol
LogP1.76
Rot. Bonds5

About [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine

[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine (PubChem CID 134448938) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine
PubChem CID134448938
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine
SMILESC#C/C=C(NN)\C(C)=C/COC1C=CC=CC1F
InChIInChI=1S/C14H17FN2O/c1-3-6-13(17-16)11(2)9-10-18-14-8-5-4-7-12(14)15/h1,4-9,12,14,17H,10,16H2,2H3/b11-9-,13-6+
InChIKeyFAOUAHMIPAZIMD-IWEOQNIOSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
The IUPAC name of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine (CID 134448938) is [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine.
What is the SMILES notation for [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
The canonical SMILES for [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine is C#C/C=C(NN)\C(C)=C/COC1C=CC=CC1F.
What is the InChIKey of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
The InChIKey is FAOUAHMIPAZIMD-IWEOQNIOSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-6-13(17-16)11(2)9-10-18-14-8-5-4-7-12(14)15/h1,4-9,12,14,17H,10,16H2,2H3/b11-9-,13-6+.
What are the key properties of [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine?
[(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine has a molecular weight of 248.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-7-(6-fluorocyclohexa-2,4-dien-1-yl)oxy-5-methylhepta-3,5-dien-1-yn-4-yl]hydrazine is sourced from PubChem (CID 134448938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).