(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine

C7H9FIN — CID 89416505

IUPAC(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(F)=C/C)NI
InChIInChI=1S/C7H9FIN/c1-3-7(8)5-4-6(2)10-9/h3-5,10H,2H2,1H3/b5-4-,7-3+
InChIKeyVNZYXGUTRJAIIR-SBYNAHCQSA-N
MW253.06 g/mol
LogP2.87
Rot. Bonds3

About (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine

(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine (PubChem CID 89416505) has the molecular formula C7H9FIN and a molecular weight of 253.06 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine
PubChem CID89416505
Molecular FormulaC7H9FIN
Molecular Weight253.06 g/mol
Exact Mass252.98
IUPAC Name(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine
SMILESC=C(/C=C\C(F)=C/C)NI
InChIInChI=1S/C7H9FIN/c1-3-7(8)5-4-6(2)10-9/h3-5,10H,2H2,1H3/b5-4-,7-3+
InChIKeyVNZYXGUTRJAIIR-SBYNAHCQSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.06
LogP ≤ 52.87
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 (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine (CID 89416505) is (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine is C=C(/C=C\C(F)=C/C)NI.
What is the InChIKey of (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine?
The InChIKey is VNZYXGUTRJAIIR-SBYNAHCQSA-N. The full InChI is InChI=1S/C7H9FIN/c1-3-7(8)5-4-6(2)10-9/h3-5,10H,2H2,1H3/b5-4-,7-3+.
What are the key properties of (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine?
(3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine has a molecular weight of 253.06 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-N-iodohepta-1,3,5-trien-2-amine is sourced from PubChem (CID 89416505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).