(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene

C7H6F3I — CID 147260111

IUPAC(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene
SMILESC=C/C(=C\I)C(=C)C(F)(F)F
InChIInChI=1S/C7H6F3I/c1-3-6(4-11)5(2)7(8,9)10/h3-4H,1-2H2/b6-4+
InChIKeyCOJYICNWBOQUIR-GQCTYLIASA-N
MW274.02 g/mol
LogP3.61
Rot. Bonds2

About (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene

(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene (PubChem CID 147260111) has the molecular formula C7H6F3I and a molecular weight of 274.02 g/mol. Its IUPAC name is (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene.

Molecular Properties

Compound Name(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene
PubChem CID147260111
Molecular FormulaC7H6F3I
Molecular Weight274.02 g/mol
Exact Mass273.95
IUPAC Name(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene
SMILESC=C/C(=C\I)C(=C)C(F)(F)F
InChIInChI=1S/C7H6F3I/c1-3-6(4-11)5(2)7(8,9)10/h3-4H,1-2H2/b6-4+
InChIKeyCOJYICNWBOQUIR-GQCTYLIASA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.02
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene?
The IUPAC name of (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene (CID 147260111) is (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene.
What is the SMILES notation for (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene?
The canonical SMILES for (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene is C=C/C(=C\I)C(=C)C(F)(F)F.
What is the InChIKey of (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene?
The InChIKey is COJYICNWBOQUIR-GQCTYLIASA-N. The full InChI is InChI=1S/C7H6F3I/c1-3-6(4-11)5(2)7(8,9)10/h3-4H,1-2H2/b6-4+.
What are the key properties of (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene?
(3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene has a molecular weight of 274.02 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(iodomethylidene)-2-(trifluoromethyl)penta-1,4-diene is sourced from PubChem (CID 147260111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).