(5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide

C5H8F3IN2 — CID 163672340

IUPAC(5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide
SMILES[H]/N=C(\C=C(C)[NH3+])C(F)(F)F.[I-]
InChIInChI=1S/C5H7F3N2.HI/c1-3(9)2-4(10)5(6,7)8;/h2,10H,9H2,1H3;1H/b3-2?,10-4+;
InChIKeyQWOHLCRAUAMEQE-ZBOOGQCFSA-N
MW280.03 g/mol
LogP-2.28
Rot. Bonds1

About (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide

(5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide (PubChem CID 163672340) has the molecular formula C5H8F3IN2 and a molecular weight of 280.03 g/mol. Its IUPAC name is (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide.

Molecular Properties

Compound Name(5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide
PubChem CID163672340
Molecular FormulaC5H8F3IN2
Molecular Weight280.03 g/mol
Exact Mass279.97
IUPAC Name(5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide
SMILES[H]/N=C(\C=C(C)[NH3+])C(F)(F)F.[I-]
InChIInChI=1S/C5H7F3N2.HI/c1-3(9)2-4(10)5(6,7)8;/h2,10H,9H2,1H3;1H/b3-2?,10-4+;
InChIKeyQWOHLCRAUAMEQE-ZBOOGQCFSA-N
XLogP-2.28
TPSA51.49 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.03
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide?
The IUPAC name of (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide (CID 163672340) is (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide.
What is the SMILES notation for (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide?
The canonical SMILES for (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide is [H]/N=C(\C=C(C)[NH3+])C(F)(F)F.[I-].
What is the InChIKey of (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide?
The InChIKey is QWOHLCRAUAMEQE-ZBOOGQCFSA-N. The full InChI is InChI=1S/C5H7F3N2.HI/c1-3(9)2-4(10)5(6,7)8;/h2,10H,9H2,1H3;1H/b3-2?,10-4+;.
What are the key properties of (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide?
(5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide has a molecular weight of 280.03 g/mol, XLogP of -2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,5-trifluoro-4-iminopent-2-en-2-yl)azanium iodide is sourced from PubChem (CID 163672340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).