1,2-dichloroethene;3-iodoprop-1-ene

C5H7Cl2I — CID 173461495

IUPAC1,2-dichloroethene;3-iodoprop-1-ene
SMILESC=CCI.ClC=CCl
InChIInChI=1S/C3H5I.C2H2Cl2/c1-2-3-4;3-1-2-4/h2H,1,3H2;1-2H
InChIKeyJWMXMFQFQMKHFJ-UHFFFAOYSA-N
MW264.92 g/mol
LogP3.54
Rot. Bonds1

About 1,2-dichloroethene;3-iodoprop-1-ene

1,2-dichloroethene;3-iodoprop-1-ene (PubChem CID 173461495) has the molecular formula C5H7Cl2I and a molecular weight of 264.92 g/mol. Its IUPAC name is 1,2-dichloroethene;3-iodoprop-1-ene.

Molecular Properties

Compound Name1,2-dichloroethene;3-iodoprop-1-ene
PubChem CID173461495
Molecular FormulaC5H7Cl2I
Molecular Weight264.92 g/mol
Exact Mass263.90
IUPAC Name1,2-dichloroethene;3-iodoprop-1-ene
SMILESC=CCI.ClC=CCl
InChIInChI=1S/C3H5I.C2H2Cl2/c1-2-3-4;3-1-2-4/h2H,1,3H2;1-2H
InChIKeyJWMXMFQFQMKHFJ-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.92
LogP ≤ 53.54
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-iodoprop-1-ene;zinc
CID 87332721
(E)-1,2-dichloroethene;dichloromethane
CID 18799064
3-iodoprop-1-ene;pyridine
CID 67041654
1-chloroprop-1-ene;hexa-1,5-diene
CID 174915187
6-iodohexa-1,4-diene
CID 73158271
chloro-methyl-prop-2-enylsilane
CID 54526956
3-iodoprop-1-ene;1-pentoxypentane
CID 87527581
dihydroxy(prop-2-enyl)silane
CID 154091316
bromo-bis(prop-2-enyl)silane
CID 173029509
argon;chloroethene
CID 158624727
chloroethene;selane
CID 174361108
chloroethene;hydrate
CID 21299017

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloroethene;3-iodoprop-1-ene?
The IUPAC name of 1,2-dichloroethene;3-iodoprop-1-ene (CID 173461495) is 1,2-dichloroethene;3-iodoprop-1-ene.
What is the SMILES notation for 1,2-dichloroethene;3-iodoprop-1-ene?
The canonical SMILES for 1,2-dichloroethene;3-iodoprop-1-ene is C=CCI.ClC=CCl.
What is the InChIKey of 1,2-dichloroethene;3-iodoprop-1-ene?
The InChIKey is JWMXMFQFQMKHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5I.C2H2Cl2/c1-2-3-4;3-1-2-4/h2H,1,3H2;1-2H.
What are the key properties of 1,2-dichloroethene;3-iodoprop-1-ene?
1,2-dichloroethene;3-iodoprop-1-ene has a molecular weight of 264.92 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethene;3-iodoprop-1-ene is sourced from PubChem (CID 173461495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).