(3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene

C8H9F2I — CID 89066393

IUPAC(3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene
SMILESC=C(F)/C(C)=C\C(I)=C(/C)F
InChIInChI=1S/C8H9F2I/c1-5(6(2)9)4-8(11)7(3)10/h4H,2H2,1,3H3/b5-4-,8-7-
InChIKeyONPDQBHLZYNDAG-UTOQUPLUSA-N
MW270.06 g/mol
LogP4.05
Rot. Bonds2

About (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene

(3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene (PubChem CID 89066393) has the molecular formula C8H9F2I and a molecular weight of 270.06 g/mol. Its IUPAC name is (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene
PubChem CID89066393
Molecular FormulaC8H9F2I
Molecular Weight270.06 g/mol
Exact Mass269.97
IUPAC Name(3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene
SMILESC=C(F)/C(C)=C\C(I)=C(/C)F
InChIInChI=1S/C8H9F2I/c1-5(6(2)9)4-8(11)7(3)10/h4H,2H2,1,3H3/b5-4-,8-7-
InChIKeyONPDQBHLZYNDAG-UTOQUPLUSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 54.05
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 (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene (CID 89066393) is (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene is C=C(F)/C(C)=C\C(I)=C(/C)F.
What is the InChIKey of (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene?
The InChIKey is ONPDQBHLZYNDAG-UTOQUPLUSA-N. The full InChI is InChI=1S/C8H9F2I/c1-5(6(2)9)4-8(11)7(3)10/h4H,2H2,1,3H3/b5-4-,8-7-.
What are the key properties of (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene?
(3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene has a molecular weight of 270.06 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,6-difluoro-5-iodo-3-methylhepta-1,3,5-triene is sourced from PubChem (CID 89066393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).