2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol

C16H20FN3O — CID 89331471

IUPAC2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol
SMILESC=C/C=C(\C=C/N)CC(=NNCCO)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c1-2-3-13(8-9-18)12-16(20-19-10-11-21)14-4-6-15(17)7-5-14/h2-9,19,21H,1,10-12,18H2/b9-8-,13-3+,20-16?
InChIKeyFMOISDNKTGOMBB-JVZQBBJESA-N
MW289.35 g/mol
LogP2.09
Rot. Bonds8

About 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol

2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol (PubChem CID 89331471) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol.

Molecular Properties

Compound Name2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol
PubChem CID89331471
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol
SMILESC=C/C=C(\C=C/N)CC(=NNCCO)c1ccc(F)cc1
InChIInChI=1S/C16H20FN3O/c1-2-3-13(8-9-18)12-16(20-19-10-11-21)14-4-6-15(17)7-5-14/h2-9,19,21H,1,10-12,18H2/b9-8-,13-3+,20-16?
InChIKeyFMOISDNKTGOMBB-JVZQBBJESA-N
XLogP2.09
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol?
The IUPAC name of 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol (CID 89331471) is 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol.
What is the SMILES notation for 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol?
The canonical SMILES for 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol is C=C/C=C(\C=C/N)CC(=NNCCO)c1ccc(F)cc1.
What is the InChIKey of 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol?
The InChIKey is FMOISDNKTGOMBB-JVZQBBJESA-N. The full InChI is InChI=1S/C16H20FN3O/c1-2-3-13(8-9-18)12-16(20-19-10-11-21)14-4-6-15(17)7-5-14/h2-9,19,21H,1,10-12,18H2/b9-8-,13-3+,20-16?.
What are the key properties of 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol?
2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol has a molecular weight of 289.35 g/mol, XLogP of 2.09, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3Z)-3-[(Z)-2-aminoethenyl]-1-(4-fluorophenyl)hexa-3,5-dienylidene]hydrazinyl]ethanol is sourced from PubChem (CID 89331471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).