(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene

C10H14FI — CID 146239579

IUPAC(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene
SMILESC=C(C)/C=C(C)\C(F)=C(\I)CC
InChIInChI=1S/C10H14FI/c1-5-9(12)10(11)8(4)6-7(2)3/h6H,2,5H2,1,3-4H3/b8-6-,10-9-
InChIKeyMYFWZKIKJHGILG-VAOAJWRNSA-N
MW280.12 g/mol
LogP4.53
Rot. Bonds3

About (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene

(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene (PubChem CID 146239579) has the molecular formula C10H14FI and a molecular weight of 280.12 g/mol. Its IUPAC name is (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene
PubChem CID146239579
Molecular FormulaC10H14FI
Molecular Weight280.12 g/mol
Exact Mass280.01
IUPAC Name(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene
SMILESC=C(C)/C=C(C)\C(F)=C(\I)CC
InChIInChI=1S/C10H14FI/c1-5-9(12)10(11)8(4)6-7(2)3/h6H,2,5H2,1,3-4H3/b8-6-,10-9-
InChIKeyMYFWZKIKJHGILG-VAOAJWRNSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 54.53
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)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene (CID 146239579) is (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene is C=C(C)/C=C(C)\C(F)=C(\I)CC.
What is the InChIKey of (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene?
The InChIKey is MYFWZKIKJHGILG-VAOAJWRNSA-N. The full InChI is InChI=1S/C10H14FI/c1-5-9(12)10(11)8(4)6-7(2)3/h6H,2,5H2,1,3-4H3/b8-6-,10-9-.
What are the key properties of (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene?
(3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene has a molecular weight of 280.12 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-fluoro-6-iodo-2,4-dimethylocta-1,3,5-triene is sourced from PubChem (CID 146239579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).