(1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine

C6H7FIN — CID 87085180

IUPAC(1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
SMILESC=C(F)/C=C(I)\C=C/N
InChIInChI=1S/C6H7FIN/c1-5(7)4-6(8)2-3-9/h2-4H,1,9H2/b3-2-,6-4+
InChIKeyOTZKDEGZVNQVSW-MGLVMYNNSA-N
MW239.03 g/mol
LogP2.26
Rot. Bonds2

About (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine

(1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine (PubChem CID 87085180) has the molecular formula C6H7FIN and a molecular weight of 239.03 g/mol. Its IUPAC name is (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
PubChem CID87085180
Molecular FormulaC6H7FIN
Molecular Weight239.03 g/mol
Exact Mass238.96
IUPAC Name(1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine
SMILESC=C(F)/C=C(I)\C=C/N
InChIInChI=1S/C6H7FIN/c1-5(7)4-6(8)2-3-9/h2-4H,1,9H2/b3-2-,6-4+
InChIKeyOTZKDEGZVNQVSW-MGLVMYNNSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.03
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine (CID 87085180) is (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine is C=C(F)/C=C(I)\C=C/N.
What is the InChIKey of (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
The InChIKey is OTZKDEGZVNQVSW-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H7FIN/c1-5(7)4-6(8)2-3-9/h2-4H,1,9H2/b3-2-,6-4+.
What are the key properties of (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine?
(1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine has a molecular weight of 239.03 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-5-fluoro-3-iodohexa-1,3,5-trien-1-amine is sourced from PubChem (CID 87085180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).