N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine

C6H8FN — CID 176684240

IUPACN-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C\F
InChIInChI=1S/C6H8FN/c1-6(8-2)4-3-5-7/h3-5H,2H2,1H3/b5-3+,6-4-
InChIKeyIPPKWGNLJFTUIN-UZNMPDEFSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine

N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine (PubChem CID 176684240) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
PubChem CID176684240
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC NameN-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine
SMILESC=N/C(C)=C\C=C\F
InChIInChI=1S/C6H8FN/c1-6(8-2)4-3-5-7/h3-5H,2H2,1H3/b5-3+,6-4-
InChIKeyIPPKWGNLJFTUIN-UZNMPDEFSA-N
XLogP2.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
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

N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimidoyl iodide
CID 89996575
N-(1,1,1-trifluoropenta-2,4-dien-2-yl)methanimine
CID 91543701
N-[(Z)-1-fluorobut-2-en-2-yl]methanimine
CID 129299402
N-[(2E)-4-fluoropenta-2,4-dien-2-yl]ethenimine
CID 130360998
N-[(2Z)-1,1,1-trifluoropenta-2,4-dien-2-yl]methanimine
CID 142135069
N-[(2Z,4Z)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 143435074
N-[(1E,3Z)-2-fluoropenta-1,3-dienyl]methanimine
CID 143599379
N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z,4E)-1,1,1-trifluorohexa-2,4-dien-2-yl]methanimine
CID 144022164
N-[(1Z,3E)-4-fluoropenta-1,3-dienyl]methanimine
CID 144319007
N-[(2Z)-1,1-difluoropenta-2,4-dien-2-yl]methanimine
CID 144753283
N-[(2Z)-1-fluoropenta-2,4-dien-2-yl]methanimine
CID 144753304

Frequently Asked Questions

What is the IUPAC name of N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
The IUPAC name of N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine (CID 176684240) is N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine.
What is the SMILES notation for N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
The canonical SMILES for N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine is C=N/C(C)=C\C=C\F.
What is the InChIKey of N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
The InChIKey is IPPKWGNLJFTUIN-UZNMPDEFSA-N. The full InChI is InChI=1S/C6H8FN/c1-6(8-2)4-3-5-7/h3-5H,2H2,1H3/b5-3+,6-4-.
What are the key properties of N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine?
N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z,4E)-5-fluoropenta-2,4-dien-2-yl]methanimine is sourced from PubChem (CID 176684240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).