(3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene

C9H12FI — CID 89277359

IUPAC(3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene
SMILESC=C/C=C(CI)\C(F)=C/CC
InChIInChI=1S/C9H12FI/c1-3-5-8(7-11)9(10)6-4-2/h3,5-6H,1,4,7H2,2H3/b8-5-,9-6+
InChIKeyYNJSNYMYEBZJLV-LDFAFZTOSA-N
MW266.10 g/mol
LogP3.80
Rot. Bonds4

About (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene

(3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene (PubChem CID 89277359) has the molecular formula C9H12FI and a molecular weight of 266.10 g/mol. Its IUPAC name is (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene
PubChem CID89277359
Molecular FormulaC9H12FI
Molecular Weight266.10 g/mol
Exact Mass266.00
IUPAC Name(3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene
SMILESC=C/C=C(CI)\C(F)=C/CC
InChIInChI=1S/C9H12FI/c1-3-5-8(7-11)9(10)6-4-2/h3,5-6H,1,4,7H2,2H3/b8-5-,9-6+
InChIKeyYNJSNYMYEBZJLV-LDFAFZTOSA-N
XLogP3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 53.80
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E,2Z)-3-fluoro-2-propylidenehex-3-en-1-amine
CID 142166676
(3E)-4-fluorohexa-1,3-diene
CID 88586520
1-[(3E)-3-fluorohexa-1,3-dien-2-yl]-1,2-dimethylhydrazine
CID 135202533
(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
CID 143114210
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961
(2E)-2-ethylpenta-2,4-dienoic acid
CID 118517754
acetylene;(2Z,4E)-2,3,4-trifluorohepta-2,4-diene
CID 143818434
1,1-difluorobut-1-ene;propane
CID 54149650
(2E)-penta-2,4-dien-2-amine;propane
CID 143277472
[(3E)-hexa-1,3-dien-3-yl]phosphane
CID 142203829
(3E)-3-(iodomethyl)hexa-1,3,5-triene
CID 142115416
(3E,4E)-4-hydroxy-3-propylidenehepta-4,6-dien-2-one
CID 143993556

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene?
The IUPAC name of (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene (CID 89277359) is (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene.
What is the SMILES notation for (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene?
The canonical SMILES for (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene is C=C/C=C(CI)\C(F)=C/CC.
What is the InChIKey of (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene?
The InChIKey is YNJSNYMYEBZJLV-LDFAFZTOSA-N. The full InChI is InChI=1S/C9H12FI/c1-3-5-8(7-11)9(10)6-4-2/h3,5-6H,1,4,7H2,2H3/b8-5-,9-6+.
What are the key properties of (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene?
(3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene has a molecular weight of 266.10 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-fluoro-4-(iodomethyl)octa-1,3,5-triene is sourced from PubChem (CID 89277359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).