1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene

C8H5FI2 — CID 132524385

IUPAC1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
SMILESFc1ccc(/C(I)=C\I)cc1
InChIInChI=1S/C8H5FI2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5H/b8-5+
InChIKeyDCBGHSOAARQHPK-VMPITWQZSA-N
MW373.93 g/mol
LogP3.99
Rot. Bonds1

About 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene

1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene (PubChem CID 132524385) has the molecular formula C8H5FI2 and a molecular weight of 373.93 g/mol. Its IUPAC name is 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
PubChem CID132524385
Molecular FormulaC8H5FI2
Molecular Weight373.93 g/mol
Exact Mass373.85
IUPAC Name1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene
SMILESFc1ccc(/C(I)=C\I)cc1
InChIInChI=1S/C8H5FI2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5H/b8-5+
InChIKeyDCBGHSOAARQHPK-VMPITWQZSA-N
XLogP3.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-4-[(E)-1-iodo-2-nitroethenyl]benzene
CID 122399471
(E)-4-(4-fluorophenyl)-4-iodobut-3-enenitrile
CID 138984639
1-fluoro-4-[(E)-1-iodo-3,3-diphenylprop-1-enyl]benzene
CID 57332043
1-fluoro-4-[(Z)-2-iodo-1-methylsulfonylethenyl]benzene
CID 132600252
1-(2-bromo-1-phenylethenyl)-4-fluorobenzene
CID 172688289
1-(4-fluorophenyl)-2-hydroxysulfanylethanone
CID 142999162
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
1,9-bis(4-fluorophenyl)nonane-1,9-dione
CID 68637188
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
copper bis(4-fluorobenzoate)
CID 70452334
1-[1,2-dibromo-2-(4-fluorophenyl)ethenyl]-4-fluorobenzene
CID 139674428
S-[2-(4-fluorophenyl)-2-oxoethyl] ethanethioate
CID 10584638

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene?
The IUPAC name of 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene (CID 132524385) is 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene?
The canonical SMILES for 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene is Fc1ccc(/C(I)=C\I)cc1.
What is the InChIKey of 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene?
The InChIKey is DCBGHSOAARQHPK-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5FI2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-5H/b8-5+.
What are the key properties of 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene?
1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene has a molecular weight of 373.93 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diiodoethenyl]-4-fluorobenzene is sourced from PubChem (CID 132524385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).