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

C8H12FN — CID 129106503

IUPACN-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C(/C)CC
InChIInChI=1S/C8H12FN/c1-4-7(2)5-8(9)6-10-3/h5-6H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyLGYWETHNFQYIGU-KQQUZDAGSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds3

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

N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine (PubChem CID 129106503) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
PubChem CID129106503
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
SMILESC=N/C=C(F)\C=C(/C)CC
InChIInChI=1S/C8H12FN/c1-4-7(2)5-8(9)6-10-3/h5-6H,3-4H2,1-2H3/b7-5+,8-6+
InChIKeyLGYWETHNFQYIGU-KQQUZDAGSA-N
XLogP2.85
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 ≤ 52.85
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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Related Compounds

N-[(1Z,3E)-5-fluoro-4-iodo-2-methylpenta-1,3-dienyl]methanimine
CID 88579421
N-(3-fluoro-5-methylhexa-1,3,5-trien-2-yl)methanimine
CID 91170852
N-(2-fluoro-4-methylpenta-1,3-dienyl)methanimine
CID 123242234
N-(4-fluoro-2,6,7-trimethylocta-1,3,5,7-tetraen-3-yl)methanimine
CID 123451765
N-(7-fluoro-4-methyl-3-methylideneocta-1,4,6-trienyl)methanimine
CID 123577773
N-(6-fluoro-4-prop-1-enylhepta-3,5-dien-3-yl)methanimine
CID 124034785
N-[(1Z,3E)-4-fluoro-2-propan-2-ylpenta-1,3-dienyl]methanimine
CID 126510384
N-[(3Z,5E)-6-fluoro-2,4-dimethylhepta-3,5-dien-3-yl]methanimine
CID 129051517
N-[(1E,3E)-2-fluoro-4,5,5-trimethylhexa-1,3-dienyl]methanimine
CID 129106496
N-[(1Z,3E)-4-fluoro-2-propylhepta-1,3-dienyl]ethanimine
CID 129172083
N-[(1E)-2-fluoro-4-methylpenta-1,3-dienyl]methanimine
CID 129234801
N-[(1Z,3E)-4-fluoro-2-methylpenta-1,3-dienyl]methanimine
CID 130296619

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine (CID 129106503) is N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine is C=N/C=C(F)\C=C(/C)CC.
What is the InChIKey of N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine?
The InChIKey is LGYWETHNFQYIGU-KQQUZDAGSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-7(2)5-8(9)6-10-3/h5-6H,3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine?
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 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-methylhexa-1,3-dienyl]methanimine is sourced from PubChem (CID 129106503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).