[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine

C17H25FN2O — CID 134448730

IUPAC[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine
SMILESC/C1=C/C(OC(C)/C=C\C=C/C(C)F)=C\C=C(\NN)CC1
InChIInChI=1S/C17H25FN2O/c1-13-8-9-16(20-19)10-11-17(12-13)21-15(3)7-5-4-6-14(2)18/h4-7,10-12,14-15,20H,8-9,19H2,1-3H3/b6-4-,7-5-,13-12-,16-10+,17-11+
InChIKeyQZGSLBURFZTMAL-RPMOBXOJSA-N
MW292.40 g/mol
LogP3.83
Rot. Bonds6

About [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine

[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine (PubChem CID 134448730) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine.

Molecular Properties

Compound Name[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine
PubChem CID134448730
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine
SMILESC/C1=C/C(OC(C)/C=C\C=C/C(C)F)=C\C=C(\NN)CC1
InChIInChI=1S/C17H25FN2O/c1-13-8-9-16(20-19)10-11-17(12-13)21-15(3)7-5-4-6-14(2)18/h4-7,10-12,14-15,20H,8-9,19H2,1-3H3/b6-4-,7-5-,13-12-,16-10+,17-11+
InChIKeyQZGSLBURFZTMAL-RPMOBXOJSA-N
XLogP3.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.83
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'}

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine?
The IUPAC name of [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine (CID 134448730) is [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine.
What is the SMILES notation for [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine?
The canonical SMILES for [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine is C/C1=C/C(OC(C)/C=C\C=C/C(C)F)=C\C=C(\NN)CC1.
What is the InChIKey of [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine?
The InChIKey is QZGSLBURFZTMAL-RPMOBXOJSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-13-8-9-16(20-19)10-11-17(12-13)21-15(3)7-5-4-6-14(2)18/h4-7,10-12,14-15,20H,8-9,19H2,1-3H3/b6-4-,7-5-,13-12-,16-10+,17-11+.
What are the key properties of [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine?
[(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine has a molecular weight of 292.40 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E,5Z)-4-[(3Z,5Z)-7-fluoroocta-3,5-dien-2-yl]oxy-6-methylcycloocta-1,3,5-trien-1-yl]hydrazine is sourced from PubChem (CID 134448730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).