(E)-1,3-dichloro-1,2-diiodoprop-1-ene

C3H2Cl2I2 — CID 13089444

IUPAC(E)-1,3-dichloro-1,2-diiodoprop-1-ene
SMILESClC/C(I)=C(/Cl)I
InChIInChI=1S/C3H2Cl2I2/c4-1-2(6)3(5)7/h1H2/b3-2+
InChIKeyIMBYOJIODWIBJI-NSCUHMNNSA-N
MW362.76 g/mol
LogP3.50
Rot. Bonds1

About (E)-1,3-dichloro-1,2-diiodoprop-1-ene

(E)-1,3-dichloro-1,2-diiodoprop-1-ene (PubChem CID 13089444) has the molecular formula C3H2Cl2I2 and a molecular weight of 362.76 g/mol. Its IUPAC name is (E)-1,3-dichloro-1,2-diiodoprop-1-ene.

Molecular Properties

Compound Name(E)-1,3-dichloro-1,2-diiodoprop-1-ene
PubChem CID13089444
Molecular FormulaC3H2Cl2I2
Molecular Weight362.76 g/mol
Exact Mass361.76
IUPAC Name(E)-1,3-dichloro-1,2-diiodoprop-1-ene
SMILESClC/C(I)=C(/Cl)I
InChIInChI=1S/C3H2Cl2I2/c4-1-2(6)3(5)7/h1H2/b3-2+
InChIKeyIMBYOJIODWIBJI-NSCUHMNNSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.76
LogP ≤ 53.50
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'}

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Related Compounds

(3-chloro-2,3-diiodoprop-2-enyl) thiocyanate
CID 54425680
2-chloroacetyl chloride;silane
CID 174549758
1,1,2,3-tetrachloroprop-1-ene
CID 25281
(E)-3-chloro-4-iodohex-3-ene
CID 13028137
acetyl bromide;2-chloroacetyl chloride
CID 88646573
CID 158493610
CID 158493610
1,4-dichloro-2,3-bis(chloromethyl)but-2-ene
CID 14530626
hypochlorous acid
CID 161233655
2-chloroacetyl chloride;ethane
CID 144520290
(E)-1-chloro-1,2-diiodoethene
CID 87733481
sodium;2-chloroacetamide;hydride
CID 175092720
(E)-1,2,3-trichlorobut-2-ene
CID 3035847

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-dichloro-1,2-diiodoprop-1-ene?
The IUPAC name of (E)-1,3-dichloro-1,2-diiodoprop-1-ene (CID 13089444) is (E)-1,3-dichloro-1,2-diiodoprop-1-ene.
What is the SMILES notation for (E)-1,3-dichloro-1,2-diiodoprop-1-ene?
The canonical SMILES for (E)-1,3-dichloro-1,2-diiodoprop-1-ene is ClC/C(I)=C(/Cl)I.
What is the InChIKey of (E)-1,3-dichloro-1,2-diiodoprop-1-ene?
The InChIKey is IMBYOJIODWIBJI-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H2Cl2I2/c4-1-2(6)3(5)7/h1H2/b3-2+.
What are the key properties of (E)-1,3-dichloro-1,2-diiodoprop-1-ene?
(E)-1,3-dichloro-1,2-diiodoprop-1-ene has a molecular weight of 362.76 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-dichloro-1,2-diiodoprop-1-ene is sourced from PubChem (CID 13089444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).