[5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine

C14H19FN2O — CID 134448823

IUPAC[5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine
SMILESC=CC(F)C(C=C)OC1=CCC=C(NN)C(C)=C1
InChIInChI=1S/C14H19FN2O/c1-4-12(15)14(5-2)18-11-7-6-8-13(17-16)10(3)9-11/h4-5,7-9,12,14,17H,1-2,6,16H2,3H3
InChIKeyVWMISMILFJIUSN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.66
Rot. Bonds6

About [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine

[5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine (PubChem CID 134448823) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine.

Molecular Properties

Compound Name[5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine
PubChem CID134448823
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name[5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine
SMILESC=CC(F)C(C=C)OC1=CCC=C(NN)C(C)=C1
InChIInChI=1S/C14H19FN2O/c1-4-12(15)14(5-2)18-11-7-6-8-13(17-16)10(3)9-11/h4-5,7-9,12,14,17H,1-2,6,16H2,3H3
InChIKeyVWMISMILFJIUSN-UHFFFAOYSA-N
XLogP2.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine?
The IUPAC name of [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine (CID 134448823) is [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine.
What is the SMILES notation for [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine?
The canonical SMILES for [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine is C=CC(F)C(C=C)OC1=CCC=C(NN)C(C)=C1.
What is the InChIKey of [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine?
The InChIKey is VWMISMILFJIUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-4-12(15)14(5-2)18-11-7-6-8-13(17-16)10(3)9-11/h4-5,7-9,12,14,17H,1-2,6,16H2,3H3.
What are the key properties of [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine?
[5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine has a molecular weight of 250.32 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorohexa-1,5-dien-3-yloxy)-7-methylcyclohepta-1,4,6-trien-1-yl]hydrazine is sourced from PubChem (CID 134448823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).