N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine

C8H12FN — CID 163633243

IUPACN-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
SMILESC=NC(=C(C)C)/C(F)=C\C
InChIInChI=1S/C8H12FN/c1-5-7(9)8(10-4)6(2)3/h5H,4H2,1-3H3/b7-5+
InChIKeyHXXRPQRGGJPBKY-FNORWQNLSA-N
MW141.19 g/mol
LogP2.85
Rot. Bonds2

About N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine

N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine (PubChem CID 163633243) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine.

Molecular Properties

Compound NameN-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
PubChem CID163633243
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine
SMILESC=NC(=C(C)C)/C(F)=C\C
InChIInChI=1S/C8H12FN/c1-5-7(9)8(10-4)6(2)3/h5H,4H2,1-3H3/b7-5+
InChIKeyHXXRPQRGGJPBKY-FNORWQNLSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800417
N-[(2Z,4E)-6,6,6-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 146505995
N-[(3E)-3-fluoropenta-1,3-dien-2-yl]methanimine
CID 155129232
N-[(2Z)-5-methylhexa-2,4-dien-2-yl]methanimine
CID 89899366
N-(5-methylhexa-2,4-dien-2-yl)methanimine
CID 123489897
N-(6-methylhepta-1,3,5-trien-2-yl)methanimine
CID 123592729
ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 143800416
ethane;N-[(2E)-3-fluoropenta-2,4-dien-2-yl]methanimine
CID 144023840
ethene;N-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]methanimine
CID 144545920
ethane;N-[(2Z)-4-fluoropenta-2,4-dien-2-yl]methanimine
CID 162760952
N-[(3E)-4-methylhexa-1,3,5-trien-3-yl]methanimine
CID 169585945

Frequently Asked Questions

What is the IUPAC name of N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine?
The IUPAC name of N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine (CID 163633243) is N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine.
What is the SMILES notation for N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine?
The canonical SMILES for N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine is C=NC(=C(C)C)/C(F)=C\C.
What is the InChIKey of N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine?
The InChIKey is HXXRPQRGGJPBKY-FNORWQNLSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-7(9)8(10-4)6(2)3/h5H,4H2,1-3H3/b7-5+.
What are the key properties of N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine?
N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine has a molecular weight of 141.19 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4E)-4-fluoro-2-methylhexa-2,4-dien-3-yl]methanimine is sourced from PubChem (CID 163633243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).