tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene

C4H2Cl8 — CID 174914861

IUPACtetrachloromethane;1,1,2,3-tetrachloroprop-1-ene
SMILESClC(Cl)(Cl)Cl.ClCC(Cl)=C(Cl)Cl
InChIInChI=1S/C3H2Cl4.CCl4/c4-1-2(5)3(6)7;2-1(3,4)5/h1H2;
InChIKeySBMFZPFULMYANM-UHFFFAOYSA-N
MW333.68 g/mol
LogP5.66
Rot. Bonds1

About tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene

tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene (PubChem CID 174914861) has the molecular formula C4H2Cl8 and a molecular weight of 333.68 g/mol. Its IUPAC name is tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene.

Molecular Properties

Compound Nametetrachloromethane;1,1,2,3-tetrachloroprop-1-ene
PubChem CID174914861
Molecular FormulaC4H2Cl8
Molecular Weight333.68 g/mol
Exact Mass329.77
IUPAC Nametetrachloromethane;1,1,2,3-tetrachloroprop-1-ene
SMILESClC(Cl)(Cl)Cl.ClCC(Cl)=C(Cl)Cl
InChIInChI=1S/C3H2Cl4.CCl4/c4-1-2(5)3(6)7;2-1(3,4)5/h1H2;
InChIKeySBMFZPFULMYANM-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.68
LogP ≤ 55.66
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 tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene?
The IUPAC name of tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene (CID 174914861) is tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene.
What is the SMILES notation for tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene?
The canonical SMILES for tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene is ClC(Cl)(Cl)Cl.ClCC(Cl)=C(Cl)Cl.
What is the InChIKey of tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene?
The InChIKey is SBMFZPFULMYANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Cl4.CCl4/c4-1-2(5)3(6)7;2-1(3,4)5/h1H2;.
What are the key properties of tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene?
tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene has a molecular weight of 333.68 g/mol, XLogP of 5.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrachloromethane;1,1,2,3-tetrachloroprop-1-ene is sourced from PubChem (CID 174914861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).