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

C9H14FN — CID 166881133

IUPACN-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C(/C)C(C)C
InChIInChI=1S/C9H14FN/c1-7(2)8(3)5-9(10)6-11-4/h5-7H,4H2,1-3H3/b8-5+,9-6+
InChIKeyBSVZTUOEIOQSEE-XVYDYJIPSA-N
MW155.22 g/mol
LogP3.10
Rot. Bonds3

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

N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine (PubChem CID 166881133) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine
PubChem CID166881133
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC NameN-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C(/C)C(C)C
InChIInChI=1S/C9H14FN/c1-7(2)8(3)5-9(10)6-11-4/h5-7H,4H2,1-3H3/b8-5+,9-6+
InChIKeyBSVZTUOEIOQSEE-XVYDYJIPSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 53.10
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-dimethylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine (CID 166881133) is N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine is C=N/C=C(F)\C=C(/C)C(C)C.
What is the InChIKey of N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine?
The InChIKey is BSVZTUOEIOQSEE-XVYDYJIPSA-N. The full InChI is InChI=1S/C9H14FN/c1-7(2)8(3)5-9(10)6-11-4/h5-7H,4H2,1-3H3/b8-5+,9-6+.
What are the key properties of N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine?
N-[(1E,3E)-2-fluoro-4,5-dimethylhexa-1,3-dienyl]methanimine has a molecular weight of 155.22 g/mol, XLogP of 3.10, 3 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-dimethylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 166881133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).