(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine

C8H12FN — CID 129196363

IUPAC(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
SMILESCC/C=C/C(F)=C\C=N\C
InChIInChI=1S/C8H12FN/c1-3-4-5-8(9)6-7-10-2/h4-7H,3H2,1-2H3/b5-4+,8-6+,10-7+
InChIKeyFFFFFTMEUFRRPU-JNKFYZEOSA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds3

About (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine

(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine (PubChem CID 129196363) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
PubChem CID129196363
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine
SMILESCC/C=C/C(F)=C\C=N\C
InChIInChI=1S/C8H12FN/c1-3-4-5-8(9)6-7-10-2/h4-7H,3H2,1-2H3/b5-4+,8-6+,10-7+
InChIKeyFFFFFTMEUFRRPU-JNKFYZEOSA-N
XLogP2.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.51
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 (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine?
The IUPAC name of (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine (CID 129196363) is (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine?
The canonical SMILES for (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine is CC/C=C/C(F)=C\C=N\C.
What is the InChIKey of (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine?
The InChIKey is FFFFFTMEUFRRPU-JNKFYZEOSA-N. The full InChI is InChI=1S/C8H12FN/c1-3-4-5-8(9)6-7-10-2/h4-7H,3H2,1-2H3/b5-4+,8-6+,10-7+.
What are the key properties of (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine?
(2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-fluoro-N-methylhepta-2,4-dien-1-imine is sourced from PubChem (CID 129196363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).