(1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene

C7H8FI — CID 89173675

IUPAC(1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene
SMILESCC(=C/C=C\I)/C=C/F
InChIInChI=1S/C7H8FI/c1-7(4-5-8)3-2-6-9/h2-6H,1H3/b5-4+,6-2-,7-3-
InChIKeyTYJWIRWHDVVMDF-VOXYVELQSA-N
MW238.04 g/mol
LogP3.36
Rot. Bonds2

About (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene

(1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene (PubChem CID 89173675) has the molecular formula C7H8FI and a molecular weight of 238.04 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene
PubChem CID89173675
Molecular FormulaC7H8FI
Molecular Weight238.04 g/mol
Exact Mass237.97
IUPAC Name(1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene
SMILESCC(=C/C=C\I)/C=C/F
InChIInChI=1S/C7H8FI/c1-7(4-5-8)3-2-6-9/h2-6H,1H3/b5-4+,6-2-,7-3-
InChIKeyTYJWIRWHDVVMDF-VOXYVELQSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.04
LogP ≤ 53.36
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 (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene?
The IUPAC name of (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene (CID 89173675) is (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene?
The canonical SMILES for (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene is CC(=C/C=C\I)/C=C/F.
What is the InChIKey of (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene?
The InChIKey is TYJWIRWHDVVMDF-VOXYVELQSA-N. The full InChI is InChI=1S/C7H8FI/c1-7(4-5-8)3-2-6-9/h2-6H,1H3/b5-4+,6-2-,7-3-.
What are the key properties of (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene?
(1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene has a molecular weight of 238.04 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-fluoro-6-iodo-3-methylhexa-1,3,5-triene is sourced from PubChem (CID 89173675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).