(1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine

C6H9FIN — CID 130242764

IUPAC(1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)[C@@H](F)I
InChIInChI=1S/C6H9FIN/c1-2-5(3-4-9)6(7)8/h2-4,6H,9H2,1H3/b4-3-,5-2+/t6-/m0/s1
InChIKeyJXGYDWHUPBQYDO-LPWBUCLDSA-N
MW241.05 g/mol
LogP2.14
Rot. Bonds2

About (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine

(1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine (PubChem CID 130242764) has the molecular formula C6H9FIN and a molecular weight of 241.05 g/mol. Its IUPAC name is (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine
PubChem CID130242764
Molecular FormulaC6H9FIN
Molecular Weight241.05 g/mol
Exact Mass240.98
IUPAC Name(1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N)[C@@H](F)I
InChIInChI=1S/C6H9FIN/c1-2-5(3-4-9)6(7)8/h2-4,6H,9H2,1H3/b4-3-,5-2+/t6-/m0/s1
InChIKeyJXGYDWHUPBQYDO-LPWBUCLDSA-N
XLogP2.14
TPSA26.02 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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine (CID 130242764) is (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine is C/C=C(\C=C/N)[C@@H](F)I.
What is the InChIKey of (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine?
The InChIKey is JXGYDWHUPBQYDO-LPWBUCLDSA-N. The full InChI is InChI=1S/C6H9FIN/c1-2-5(3-4-9)6(7)8/h2-4,6H,9H2,1H3/b4-3-,5-2+/t6-/m0/s1.
What are the key properties of (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine?
(1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine has a molecular weight of 241.05 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-3-[(S)-fluoro(iodo)methyl]penta-1,3-dien-1-amine is sourced from PubChem (CID 130242764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).