1,1,2-triiodoethene

C2HI3 — CID 11750092

IUPAC1,1,2-triiodoethene
SMILESIC=C(I)I
InChIInChI=1S/C2HI3/c3-1-2(4)5/h1H
InChIKeyPGHPMTSIGHDLEG-UHFFFAOYSA-N
MW405.74 g/mol
LogP3.09
Rot. Bonds

About 1,1,2-triiodoethene

1,1,2-triiodoethene (PubChem CID 11750092) has the molecular formula C2HI3 and a molecular weight of 405.74 g/mol. Its IUPAC name is 1,1,2-triiodoethene.

Molecular Properties

Compound Name1,1,2-triiodoethene
PubChem CID11750092
Molecular FormulaC2HI3
Molecular Weight405.74 g/mol
Exact Mass405.72
IUPAC Name1,1,2-triiodoethene
SMILESIC=C(I)I
InChIInChI=1S/C2HI3/c3-1-2(4)5/h1H
InChIKeyPGHPMTSIGHDLEG-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.74
LogP ≤ 53.09
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

(E)-1-chloro-1,2-diiodoethene
CID 87733481
2,3-diiodoprop-2-enoic acid
CID 54342819
2,3-diiodoprop-2-en-1-ol
CID 72725841
alumane;2,3-diiodoprop-2-enoic acid
CID 173230375
aluminum tris((Z)-2,3-diiodoprop-2-enoate)
CID 22604740
(E)-1,2-dibromo-1,2-diiodoethene
CID 23510618
carbonyl diiodide;platinum
CID 88779166
copper;hypoiodous acid
CID 66545858
hypoiodous acid;tungsten
CID 162471968
CID 87719867
CID 87719867
(E)-2-iodoethenol
CID 87118068
(E)-1,2-diiodohept-1-ene
CID 15312157

Frequently Asked Questions

What is the IUPAC name of 1,1,2-triiodoethene?
The IUPAC name of 1,1,2-triiodoethene (CID 11750092) is 1,1,2-triiodoethene.
What is the SMILES notation for 1,1,2-triiodoethene?
The canonical SMILES for 1,1,2-triiodoethene is IC=C(I)I.
What is the InChIKey of 1,1,2-triiodoethene?
The InChIKey is PGHPMTSIGHDLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HI3/c3-1-2(4)5/h1H.
What are the key properties of 1,1,2-triiodoethene?
1,1,2-triiodoethene has a molecular weight of 405.74 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-triiodoethene is sourced from PubChem (CID 11750092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).