(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene

C8H8F3I — CID 162565488

IUPAC(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)I)C(F)(F)F
InChIInChI=1S/C8H8F3I/c1-3-7(8(9,10)11)5-4-6(2)12/h3-5H,1H2,2H3/b6-4+,7-5+
InChIKeyJAGOQWWQKPFZRG-YDFGWWAZSA-N
MW288.05 g/mol
LogP4.00
Rot. Bonds2

About (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene

(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 162565488) has the molecular formula C8H8F3I and a molecular weight of 288.05 g/mol. Its IUPAC name is (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID162565488
Molecular FormulaC8H8F3I
Molecular Weight288.05 g/mol
Exact Mass287.96
IUPAC Name(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C/C(=C\C=C(/C)I)C(F)(F)F
InChIInChI=1S/C8H8F3I/c1-3-7(8(9,10)11)5-4-6(2)12/h3-5H,1H2,2H3/b6-4+,7-5+
InChIKeyJAGOQWWQKPFZRG-YDFGWWAZSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.05
LogP ≤ 54.00
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

2,5-diiodohexa-2,4-diene
CID 71319210
(3E,5E)-7-methyl-3-(trifluoromethyl)octa-1,3,5-triene
CID 143576225
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(1E,3E)-N-ethyl-4-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 142154552
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364
N-[(1E,3E)-1-chloro-4-iodopenta-1,3-dienyl]methanimine
CID 167167541
(2E,4E)-1-(3-ethyl-2-methoxyphenyl)-5-(trifluoromethyl)hepta-2,4,6-trien-2-amine
CID 130242629
(3E)-5-methylidene-3-(trifluoromethyl)octa-1,3-dien-6-yne
CID 144911780
(2E,4E)-N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-methyl-5-(trifluoromethyl)hepta-2,4,6-trienamide
CID 172954421
but-2-yne;(3E)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]oxy-4-(trifluoromethyl)hexa-1,3,5-triene
CID 142206515

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene (CID 162565488) is (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene is C=C/C(=C\C=C(/C)I)C(F)(F)F.
What is the InChIKey of (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is JAGOQWWQKPFZRG-YDFGWWAZSA-N. The full InChI is InChI=1S/C8H8F3I/c1-3-7(8(9,10)11)5-4-6(2)12/h3-5H,1H2,2H3/b6-4+,7-5+.
What are the key properties of (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene?
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 288.05 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 162565488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).