N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine

C10H16FN — CID 129106496

IUPACN-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C(/C)C(C)(C)C
InChIInChI=1S/C10H16FN/c1-8(10(2,3)4)6-9(11)7-12-5/h6-7H,5H2,1-4H3/b8-6+,9-7+
InChIKeyPXXQSNQGPJKTGV-CDJQDVQCSA-N
MW169.24 g/mol
LogP3.49
Rot. Bonds2

About N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine

N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine (PubChem CID 129106496) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
PubChem CID129106496
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C(/C)C(C)(C)C
InChIInChI=1S/C10H16FN/c1-8(10(2,3)4)6-9(11)7-12-5/h6-7H,5H2,1-4H3/b8-6+,9-7+
InChIKeyPXXQSNQGPJKTGV-CDJQDVQCSA-N
XLogP3.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 53.49
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 N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine (CID 129106496) is N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine is C=N/C=C(F)\C=C(/C)C(C)(C)C.
What is the InChIKey of N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
The InChIKey is PXXQSNQGPJKTGV-CDJQDVQCSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(10(2,3)4)6-9(11)7-12-5/h6-7H,5H2,1-4H3/b8-6+,9-7+.
What are the key properties of N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine?
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine has a molecular weight of 169.24 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 129106496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).