(2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine

C6H9FIN — CID 129198647

IUPAC(2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine
SMILESC/C(F)=C\C=C(/C)NI
InChIInChI=1S/C6H9FIN/c1-5(7)3-4-6(2)9-8/h3-4,9H,1-2H3/b5-3+,6-4+
InChIKeyHQYPDUIMAZMBDJ-GGWOSOGESA-N
MW241.05 g/mol
LogP2.70
Rot. Bonds2

About (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine

(2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine (PubChem CID 129198647) has the molecular formula C6H9FIN and a molecular weight of 241.05 g/mol. Its IUPAC name is (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine
PubChem CID129198647
Molecular FormulaC6H9FIN
Molecular Weight241.05 g/mol
Exact Mass240.98
IUPAC Name(2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine
SMILESC/C(F)=C\C=C(/C)NI
InChIInChI=1S/C6H9FIN/c1-5(7)3-4-6(2)9-8/h3-4,9H,1-2H3/b5-3+,6-4+
InChIKeyHQYPDUIMAZMBDJ-GGWOSOGESA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.05
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine (CID 129198647) is (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine is C/C(F)=C\C=C(/C)NI.
What is the InChIKey of (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine?
The InChIKey is HQYPDUIMAZMBDJ-GGWOSOGESA-N. The full InChI is InChI=1S/C6H9FIN/c1-5(7)3-4-6(2)9-8/h3-4,9H,1-2H3/b5-3+,6-4+.
What are the key properties of (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine?
(2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine has a molecular weight of 241.05 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-fluoro-N-iodohexa-2,4-dien-2-amine is sourced from PubChem (CID 129198647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).