2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine

C8H10FN — CID 123607072

IUPAC2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
SMILESC=CC(=C)/C=C\N=C\CF
InChIInChI=1S/C8H10FN/c1-3-8(2)4-6-10-7-5-9/h3-4,6-7H,1-2,5H2/b6-4-,10-7+
InChIKeyYIEJVMMMBVHZIJ-BSAFSDHNSA-N
MW139.17 g/mol
LogP2.28
Rot. Bonds4

About 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine

2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine (PubChem CID 123607072) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine.

Molecular Properties

Compound Name2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
PubChem CID123607072
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
SMILESC=CC(=C)/C=C\N=C\CF
InChIInChI=1S/C8H10FN/c1-3-8(2)4-6-10-7-5-9/h3-4,6-7H,1-2,5H2/b6-4-,10-7+
InChIKeyYIEJVMMMBVHZIJ-BSAFSDHNSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.28
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 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine?
The IUPAC name of 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine (CID 123607072) is 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine.
What is the SMILES notation for 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine?
The canonical SMILES for 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine is C=CC(=C)/C=C\N=C\CF.
What is the InChIKey of 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine?
The InChIKey is YIEJVMMMBVHZIJ-BSAFSDHNSA-N. The full InChI is InChI=1S/C8H10FN/c1-3-8(2)4-6-10-7-5-9/h3-4,6-7H,1-2,5H2/b6-4-,10-7+.
What are the key properties of 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine?
2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine has a molecular weight of 139.17 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine is sourced from PubChem (CID 123607072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).