benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene

C15H14Cl14 — CID 158448053

IUPACbenzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene
SMILESC=CCl.ClC(Cl)(Cl)Cl.ClC(Cl)=C(Cl)Cl.ClC=C(Cl)Cl.ClCCCl.c1ccccc1
InChIInChI=1S/C6H6.C2Cl4.C2HCl3.C2H4Cl2.C2H3Cl.CCl4/c1-2-4-6-5-3-1;3-1(4)2(5)6;3-1-2(4)5;3-1-2-4;1-2-3;2-1(3,4)5/h1-6H;;1H;1-2H2;2H,1H2;
InChIKeyHDQAVINZEZDDPU-UHFFFAOYSA-N
MW690.62 g/mol
LogP12.64
Rot. Bonds1

About benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene

benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene (PubChem CID 158448053) has the molecular formula C15H14Cl14 and a molecular weight of 690.62 g/mol. Its IUPAC name is benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene.

Molecular Properties

Compound Namebenzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene
PubChem CID158448053
Molecular FormulaC15H14Cl14
Molecular Weight690.62 g/mol
Exact Mass683.67
IUPAC Namebenzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene
SMILESC=CCl.ClC(Cl)(Cl)Cl.ClC(Cl)=C(Cl)Cl.ClC=C(Cl)Cl.ClCCCl.c1ccccc1
InChIInChI=1S/C6H6.C2Cl4.C2HCl3.C2H4Cl2.C2H3Cl.CCl4/c1-2-4-6-5-3-1;3-1(4)2(5)6;3-1-2(4)5;3-1-2-4;1-2-3;2-1(3,4)5/h1-6H;;1H;1-2H2;2H,1H2;
InChIKeyHDQAVINZEZDDPU-UHFFFAOYSA-N
XLogP12.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.62
LogP ≤ 512.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene?
The IUPAC name of benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene (CID 158448053) is benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene.
What is the SMILES notation for benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene?
The canonical SMILES for benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene is C=CCl.ClC(Cl)(Cl)Cl.ClC(Cl)=C(Cl)Cl.ClC=C(Cl)Cl.ClCCCl.c1ccccc1.
What is the InChIKey of benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene?
The InChIKey is HDQAVINZEZDDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2Cl4.C2HCl3.C2H4Cl2.C2H3Cl.CCl4/c1-2-4-6-5-3-1;3-1(4)2(5)6;3-1-2(4)5;3-1-2-4;1-2-3;2-1(3,4)5/h1-6H;;1H;1-2H2;2H,1H2;.
What are the key properties of benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene?
benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene has a molecular weight of 690.62 g/mol, XLogP of 12.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloroethene;1,2-dichloroethane;1,1,2,2-tetrachloroethene;tetrachloromethane;1,1,2-trichloroethene is sourced from PubChem (CID 158448053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).