(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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Related Compounds

1,1,1-trifluoropent-4-ene-2,3-dione
CID 152536588
dimethyl-prop-2-enyl-[2-(trifluoromethyl)prop-2-enoyloxy]silanuide
CID 163744654
2-fluoro-3-(trifluoromethyl)buta-1,3-diene;trihydrofluoride
CID 174047890
(E)-4-ethenyl-N,2-dimethyl-3-methylidenehex-4-en-2-amine
CID 166818334
(4E)-4-methyl-2-(trifluoromethyl)hexa-1,4-dien-3-one
CID 102121795
ethane;(3E,4Z)-3-ethylidene-1,1,1-trifluorohepta-4,6-dien-2-one
CID 167454671
(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763167
2-(trifluoromethyl)prop-2-enal
CID 6328846
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
CID 58998110
CID 58998110
4-methyl-2-(trifluoromethyl)pent-1-en-3-one
CID 90085029

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).