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

C5H5F2N — CID 144545741

IUPACN-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C\C(=C)F
InChIInChI=1S/C5H5F2N/c1-4(6)3-5(7)8-2/h3H,1-2H2/b5-3-
InChIKeyHOTZPUDJBGYMDU-HYXAFXHYSA-N
MW117.10 g/mol
LogP1.98
Rot. Bonds2

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

N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine (PubChem CID 144545741) has the molecular formula C5H5F2N and a molecular weight of 117.10 g/mol. Its IUPAC name is N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine
PubChem CID144545741
Molecular FormulaC5H5F2N
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC NameN-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine
SMILESC=N/C(F)=C\C(=C)F
InChIInChI=1S/C5H5F2N/c1-4(6)3-5(7)8-2/h3H,1-2H2/b5-3-
InChIKeyHOTZPUDJBGYMDU-HYXAFXHYSA-N
XLogP1.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 51.98
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)-1,3-difluorobuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine (CID 144545741) is N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine is C=N/C(F)=C\C(=C)F.
What is the InChIKey of N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine?
The InChIKey is HOTZPUDJBGYMDU-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H5F2N/c1-4(6)3-5(7)8-2/h3H,1-2H2/b5-3-.
What are the key properties of N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine?
N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine has a molecular weight of 117.10 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-1,3-difluorobuta-1,3-dienyl]methanimine is sourced from PubChem (CID 144545741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).