[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine

C14H19F3N2O — CID 134448503

IUPAC[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine
SMILESCC/C(=C\C=C(/C=C/F)OC/C=C\C=C(\F)CF)NN
InChIInChI=1S/C14H19F3N2O/c1-2-13(19-18)6-7-14(8-9-15)20-10-4-3-5-12(17)11-16/h3-9,19H,2,10-11,18H2,1H3/b4-3-,9-8+,12-5+,13-6+,14-7+
InChIKeyXKNZLVBREHIEHN-IAWPXZOUSA-N
MW288.31 g/mol
LogP3.51
Rot. Bonds9

About [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine

[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine (PubChem CID 134448503) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine.

Molecular Properties

Compound Name[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine
PubChem CID134448503
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine
SMILESCC/C(=C\C=C(/C=C/F)OC/C=C\C=C(\F)CF)NN
InChIInChI=1S/C14H19F3N2O/c1-2-13(19-18)6-7-14(8-9-15)20-10-4-3-5-12(17)11-16/h3-9,19H,2,10-11,18H2,1H3/b4-3-,9-8+,12-5+,13-6+,14-7+
InChIKeyXKNZLVBREHIEHN-IAWPXZOUSA-N
XLogP3.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine?
The IUPAC name of [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine (CID 134448503) is [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine.
What is the SMILES notation for [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine?
The canonical SMILES for [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine is CC/C(=C\C=C(/C=C/F)OC/C=C\C=C(\F)CF)NN.
What is the InChIKey of [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine?
The InChIKey is XKNZLVBREHIEHN-IAWPXZOUSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-2-13(19-18)6-7-14(8-9-15)20-10-4-3-5-12(17)11-16/h3-9,19H,2,10-11,18H2,1H3/b4-3-,9-8+,12-5+,13-6+,14-7+.
What are the key properties of [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine?
[(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine has a molecular weight of 288.31 g/mol, XLogP of 3.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5E,7E)-6-[(2Z,4E)-5,6-difluorohexa-2,4-dienoxy]-8-fluoroocta-3,5,7-trien-3-yl]hydrazine is sourced from PubChem (CID 134448503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).