(4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene

C7H8F3I — CID 11334860

IUPAC(4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene
SMILESC=CC/C(=C\CI)C(F)(F)F
InChIInChI=1S/C7H8F3I/c1-2-3-6(4-5-11)7(8,9)10/h2,4H,1,3,5H2/b6-4+
InChIKeyKDEYBRQWENPXDM-GQCTYLIASA-N
MW276.04 g/mol
LogP3.49
Rot. Bonds3

About (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene

(4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene (PubChem CID 11334860) has the molecular formula C7H8F3I and a molecular weight of 276.04 g/mol. Its IUPAC name is (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene.

Molecular Properties

Compound Name(4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene
PubChem CID11334860
Molecular FormulaC7H8F3I
Molecular Weight276.04 g/mol
Exact Mass275.96
IUPAC Name(4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene
SMILESC=CC/C(=C\CI)C(F)(F)F
InChIInChI=1S/C7H8F3I/c1-2-3-6(4-5-11)7(8,9)10/h2,4H,1,3,5H2/b6-4+
InChIKeyKDEYBRQWENPXDM-GQCTYLIASA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.04
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene?
The IUPAC name of (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene (CID 11334860) is (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene.
What is the SMILES notation for (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene?
The canonical SMILES for (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene is C=CC/C(=C\CI)C(F)(F)F.
What is the InChIKey of (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene?
The InChIKey is KDEYBRQWENPXDM-GQCTYLIASA-N. The full InChI is InChI=1S/C7H8F3I/c1-2-3-6(4-5-11)7(8,9)10/h2,4H,1,3,5H2/b6-4+.
What are the key properties of (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene?
(4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene has a molecular weight of 276.04 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-6-iodo-4-(trifluoromethyl)hexa-1,4-diene is sourced from PubChem (CID 11334860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).