chloroethene;1,1,1,2,2,2-hexachloroethane

C4H3Cl7 — CID 160710284

IUPACchloroethene;1,1,1,2,2,2-hexachloroethane
SMILESC=CCl.ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2Cl6.C2H3Cl/c3-1(4,5)2(6,7)8;1-2-3/h;2H,1H2
InChIKeyRRTOKQIOMHSDNA-UHFFFAOYSA-N
MW299.24 g/mol
LogP5.10
Rot. Bonds

About chloroethene;1,1,1,2,2,2-hexachloroethane

chloroethene;1,1,1,2,2,2-hexachloroethane (PubChem CID 160710284) has the molecular formula C4H3Cl7 and a molecular weight of 299.24 g/mol. Its IUPAC name is chloroethene;1,1,1,2,2,2-hexachloroethane.

Molecular Properties

Compound Namechloroethene;1,1,1,2,2,2-hexachloroethane
PubChem CID160710284
Molecular FormulaC4H3Cl7
Molecular Weight299.24 g/mol
Exact Mass295.81
IUPAC Namechloroethene;1,1,1,2,2,2-hexachloroethane
SMILESC=CCl.ClC(Cl)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C2Cl6.C2H3Cl/c3-1(4,5)2(6,7)8;1-2-3/h;2H,1H2
InChIKeyRRTOKQIOMHSDNA-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.24
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze chloroethene;1,1,1,2,2,2-hexachloroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

chloroethene;selane
CID 174361108
chloroethene;hydrate
CID 21299017
argon;chloroethene
CID 158624727
1,1,1,2,2,2-hexachloroethane;tetrachloromethane
CID 87168985
3,3,3-trichloroprop-1-ene
CID 157415991
chloroethene;2-methylprop-1-ene
CID 87141348
(1E)-1-chlorobuta-1,3-diene
CID 5462923
CID 73179795
CID 73179795
1-(2-chloropropan-2-yl)-2-prop-2-enylcyclopentan-1-ol
CID 153378510
2,2-dichlorobut-3-enal
CID 24972381
N,N-dimethylformamide;1,1,1,2,2,2-hexachloroethane
CID 174821411
acetic acid;chloroethene;ethene
CID 88762301

Frequently Asked Questions

What is the IUPAC name of chloroethene;1,1,1,2,2,2-hexachloroethane?
The IUPAC name of chloroethene;1,1,1,2,2,2-hexachloroethane (CID 160710284) is chloroethene;1,1,1,2,2,2-hexachloroethane.
What is the SMILES notation for chloroethene;1,1,1,2,2,2-hexachloroethane?
The canonical SMILES for chloroethene;1,1,1,2,2,2-hexachloroethane is C=CCl.ClC(Cl)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of chloroethene;1,1,1,2,2,2-hexachloroethane?
The InChIKey is RRTOKQIOMHSDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl6.C2H3Cl/c3-1(4,5)2(6,7)8;1-2-3/h;2H,1H2.
What are the key properties of chloroethene;1,1,1,2,2,2-hexachloroethane?
chloroethene;1,1,1,2,2,2-hexachloroethane has a molecular weight of 299.24 g/mol, XLogP of 5.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethene;1,1,1,2,2,2-hexachloroethane is sourced from PubChem (CID 160710284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).