N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine

C6H7FIN — CID 126556867

IUPACN-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)/C(F)=C/I
InChIInChI=1S/C6H7FIN/c1-5(4-9-2)6(7)3-8/h3-4H,2H2,1H3/b5-4+,6-3-
InChIKeyLWKRBGQANIALJA-FQYFJTKBSA-N
MW239.03 g/mol
LogP2.84
Rot. Bonds2

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

N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine (PubChem CID 126556867) has the molecular formula C6H7FIN and a molecular weight of 239.03 g/mol. Its IUPAC name is N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound NameN-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine
PubChem CID126556867
Molecular FormulaC6H7FIN
Molecular Weight239.03 g/mol
Exact Mass238.96
IUPAC NameN-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(C)/C(F)=C/I
InChIInChI=1S/C6H7FIN/c1-5(4-9-2)6(7)3-8/h3-4H,2H2,1H3/b5-4+,6-3-
InChIKeyLWKRBGQANIALJA-FQYFJTKBSA-N
XLogP2.84
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-[(Z)-3-iodo-2-methylpent-1-enyl]methanimidoyl fluoride
CID 129194110
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 143420581
N-[(1Z)-3-fluoro-2-(fluoromethyl)buta-1,3-dienyl]methanimine
CID 153583117
N-[(E)-2-fluoro-3-methylidenepent-1-enyl]methanimine
CID 163369917
ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
CID 144746713

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine?
The IUPAC name of N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine (CID 126556867) is N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine?
The canonical SMILES for N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine is C=N/C=C(C)/C(F)=C/I.
What is the InChIKey of N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine?
The InChIKey is LWKRBGQANIALJA-FQYFJTKBSA-N. The full InChI is InChI=1S/C6H7FIN/c1-5(4-9-2)6(7)3-8/h3-4H,2H2,1H3/b5-4+,6-3-.
What are the key properties of N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine?
N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine has a molecular weight of 239.03 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 126556867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).