1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride

C4H2Cl6N2-2 — CID 172819342

IUPAC1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride
SMILESCl.Cl.ClC(Cl)=C(Cl)Cl.[C-]#N.[C-]#N
InChIInChI=1S/C2Cl4.2CN.2ClH/c3-1(4)2(5)6;2*1-2;;/h;;;2*1H/q;2*-1;;
InChIKeyTZYRPLRSITYABN-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.10
Rot. Bonds

About 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride

1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride (PubChem CID 172819342) has the molecular formula C4H2Cl6N2-2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride.

Molecular Properties

Compound Name1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride
PubChem CID172819342
Molecular FormulaC4H2Cl6N2-2
Molecular Weight290.79 g/mol
Exact Mass287.84
IUPAC Name1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride
SMILESCl.Cl.ClC(Cl)=C(Cl)Cl.[C-]#N.[C-]#N
InChIInChI=1S/C2Cl4.2CN.2ClH/c3-1(4)2(5)6;2*1-2;;/h;;;2*1H/q;2*-1;;
InChIKeyTZYRPLRSITYABN-UHFFFAOYSA-N
XLogP4.10
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethene;1,1,2,2-tetrachloroethene;tetrahydrochloride
CID 172763855
ethene;1,1,2,2-tetrachloroethene
CID 173095715
bis(oxygen(2-));1,1,2,2-tetrachloroethene;titanium(4+)
CID 159688834
alumane;hypochlorous acid;hydrochloride
CID 172999144
cyclohexane;1,1,2,2-tetrachloroethene
CID 158708732
fluoromethane;1,1,2,2-tetrachloroethene
CID 174399614
1,1,2,3,4,4-hexachlorobuta-1,3-diene;hydrochloride
CID 157094529
hypochlorous acid
CID 161233655
dichloropalladium dicyanide
CID 21302317
tripotassium;chlororuthenium(2+);pentacyanide
CID 173332112
cadmium(2+) tetracyanide
CID 23278875
CID 173197302
CID 173197302

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride?
The IUPAC name of 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride (CID 172819342) is 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride.
What is the SMILES notation for 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride?
The canonical SMILES for 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride is Cl.Cl.ClC(Cl)=C(Cl)Cl.[C-]#N.[C-]#N.
What is the InChIKey of 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride?
The InChIKey is TZYRPLRSITYABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl4.2CN.2ClH/c3-1(4)2(5)6;2*1-2;;/h;;;2*1H/q;2*-1;;.
What are the key properties of 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride?
1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride has a molecular weight of 290.79 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachloroethene;dicyanide;dihydrochloride is sourced from PubChem (CID 172819342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).