N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine

C13H14FN — CID 89245139

IUPACN-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine
SMILESC=C/C=C(\N=C(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H14FN/c1-4-5-13(15-10(2)3)11-6-8-12(14)9-7-11/h4-9H,1H2,2-3H3/b13-5-
InChIKeyHRFLMEKKERCLAV-ACAGNQJTSA-N
MW203.26 g/mol
LogP3.83
Rot. Bonds3

About N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine

N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine (PubChem CID 89245139) has the molecular formula C13H14FN and a molecular weight of 203.26 g/mol. Its IUPAC name is N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine.

Molecular Properties

Compound NameN-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine
PubChem CID89245139
Molecular FormulaC13H14FN
Molecular Weight203.26 g/mol
Exact Mass203.11
IUPAC NameN-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine
SMILESC=C/C=C(\N=C(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H14FN/c1-4-5-13(15-10(2)3)11-6-8-12(14)9-7-11/h4-9H,1H2,2-3H3/b13-5-
InChIKeyHRFLMEKKERCLAV-ACAGNQJTSA-N
XLogP3.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine?
The IUPAC name of N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine (CID 89245139) is N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine.
What is the SMILES notation for N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine?
The canonical SMILES for N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine is C=C/C=C(\N=C(C)C)c1ccc(F)cc1.
What is the InChIKey of N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine?
The InChIKey is HRFLMEKKERCLAV-ACAGNQJTSA-N. The full InChI is InChI=1S/C13H14FN/c1-4-5-13(15-10(2)3)11-6-8-12(14)9-7-11/h4-9H,1H2,2-3H3/b13-5-.
What are the key properties of N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine?
N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine has a molecular weight of 203.26 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-(4-fluorophenyl)buta-1,3-dienyl]propan-2-imine is sourced from PubChem (CID 89245139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).