1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane

C4H4Cl7F — CID 88595352

IUPAC1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
SMILESClCC(Cl)(Cl)Cl.FC(Cl)(Cl)CCl
InChIInChI=1S/C2H2Cl4.C2H2Cl3F/c2*3-1-2(4,5)6/h2*1H2
InChIKeyTYMPUEACOHQMGV-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.92
Rot. Bonds1

About 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane

1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane (PubChem CID 88595352) has the molecular formula C4H4Cl7F and a molecular weight of 319.25 g/mol. Its IUPAC name is 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane.

Molecular Properties

Compound Name1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
PubChem CID88595352
Molecular FormulaC4H4Cl7F
Molecular Weight319.25 g/mol
Exact Mass315.81
IUPAC Name1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
SMILESClCC(Cl)(Cl)Cl.FC(Cl)(Cl)CCl
InChIInChI=1S/C2H2Cl4.C2H2Cl3F/c2*3-1-2(4,5)6/h2*1H2
InChIKeyTYMPUEACOHQMGV-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.92
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 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane?
The IUPAC name of 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane (CID 88595352) is 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane.
What is the SMILES notation for 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane?
The canonical SMILES for 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane is ClCC(Cl)(Cl)Cl.FC(Cl)(Cl)CCl.
What is the InChIKey of 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane?
The InChIKey is TYMPUEACOHQMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl4.C2H2Cl3F/c2*3-1-2(4,5)6/h2*1H2.
What are the key properties of 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane?
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane has a molecular weight of 319.25 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane is sourced from PubChem (CID 88595352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).