N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine

C5H6FN — CID 147832810

IUPACN-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C\F
InChIInChI=1S/C5H6FN/c1-7-5-3-2-4-6/h2-5H,1H2/b4-2+,5-3-
InChIKeyHRKXJISMKWVZCT-HZDAAVBUSA-N
MW99.11 g/mol
LogP1.68
Rot. Bonds2

About N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine

N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine (PubChem CID 147832810) has the molecular formula C5H6FN and a molecular weight of 99.11 g/mol. Its IUPAC name is N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine
PubChem CID147832810
Molecular FormulaC5H6FN
Molecular Weight99.11 g/mol
Exact Mass99.05
IUPAC NameN-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine
SMILESC=N/C=C\C=C\F
InChIInChI=1S/C5H6FN/c1-7-5-3-2-4-6/h2-5H,1H2/b4-2+,5-3-
InChIKeyHRKXJISMKWVZCT-HZDAAVBUSA-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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Methylene propyleneamine
CID 18740882
N-prop-1-enylmethanimine
CID 20770478
(3z)-2-Azahexa-1,3,5-triene
CID 58734606
2-Azahexa-1,3,5-triene
CID 72405812
(3e,5z)-2-Azahexa-1,3,5-triene
CID 129751294
N-(2-fluorobuta-1,3-dienyl)methanimine
CID 123566221
N-(3-fluorobuta-1,3-dienyl)methanimine
CID 123846131
N-[(1E)-1-fluorobuta-1,3-dienyl]methanimine
CID 142524880
N-[(1E)-2-fluorobuta-1,3-dienyl]methanimine
CID 144034310
N-[(1Z)-3-fluorobuta-1,3-dienyl]methanimine
CID 144108219
N-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine
CID 144545741

Frequently Asked Questions

What is the IUPAC name of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine (CID 147832810) is N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine is C=N/C=C\C=C\F.
What is the InChIKey of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine?
The InChIKey is HRKXJISMKWVZCT-HZDAAVBUSA-N. The full InChI is InChI=1S/C5H6FN/c1-7-5-3-2-4-6/h2-5H,1H2/b4-2+,5-3-.
What are the key properties of N-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine?
N-[(1Z,3E)-4-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-[(1Z,3E)-4-fluorobuta-1,3-dienyl]methanimine is sourced from PubChem (CID 147832810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).