(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine

C6H8FN — CID 89141297

IUPAC(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C\C=C\F
InChIInChI=1S/C6H8FN/c1-6(5-8)3-2-4-7/h2-5,8H,1H3/b4-2+,6-3-,8-5+
InChIKeyHVVMQBOEYBATFJ-QAEYLJQLSA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

About (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine

(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine (PubChem CID 89141297) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine
PubChem CID89141297
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C(C)=C\C=C\F
InChIInChI=1S/C6H8FN/c1-6(5-8)3-2-4-7/h2-5,8H,1H3/b4-2+,6-3-,8-5+
InChIKeyHVVMQBOEYBATFJ-QAEYLJQLSA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
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 ≤ 51
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 (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine (CID 89141297) is (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine is [H]/N=C/C(C)=C\C=C\F.
What is the InChIKey of (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine?
The InChIKey is HVVMQBOEYBATFJ-QAEYLJQLSA-N. The full InChI is InChI=1S/C6H8FN/c1-6(5-8)3-2-4-7/h2-5,8H,1H3/b4-2+,6-3-,8-5+.
What are the key properties of (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine?
(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 89141297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).