N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine

C5H6FN — CID 142524880

IUPACN-[(1E)-1-fluorobuta-1,3-dienyl]methanimine
SMILESC=C/C=C(/F)N=C
InChIInChI=1S/C5H6FN/c1-3-4-5(6)7-2/h3-4H,1-2H2/b5-4-
InChIKeyHVSVFBPPYFJCCZ-PLNGDYQASA-N
MW99.11 g/mol
LogP1.68
Rot. Bonds2

About N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine

N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine (PubChem CID 142524880) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-1-fluorobuta-1,3-dienyl]methanimine
PubChem CID142524880
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC NameN-[(1E)-1-fluorobuta-1,3-dienyl]methanimine
SMILESC=C/C=C(/F)N=C
InChIInChI=1S/C5H6FN/c1-3-4-5(6)7-2/h3-4H,1-2H2/b5-4-
InChIKeyHVSVFBPPYFJCCZ-PLNGDYQASA-N
XLogP1.68
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.11
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine (CID 142524880) is N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine is C=C/C=C(/F)N=C.
What is the InChIKey of N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine?
The InChIKey is HVSVFBPPYFJCCZ-PLNGDYQASA-N. The full InChI is InChI=1S/C5H6FN/c1-3-4-5(6)7-2/h3-4H,1-2H2/b5-4-.
What are the key properties of N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine?
N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine has a molecular weight of 99.11 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine is sourced from PubChem (CID 142524880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).