1,2-dichloroethane;1,4-difluorobenzene

C8H8Cl2F2 — CID 118129672

IUPAC1,2-dichloroethane;1,4-difluorobenzene
SMILESClCCCl.Fc1ccc(F)cc1
InChIInChI=1S/C6H4F2.C2H4Cl2/c7-5-1-2-6(8)4-3-5;3-1-2-4/h1-4H;1-2H2
InChIKeyNOSQTGUXRATFSG-UHFFFAOYSA-N
MW213.05 g/mol
LogP3.43
Rot. Bonds1

About 1,2-dichloroethane;1,4-difluorobenzene

1,2-dichloroethane;1,4-difluorobenzene (PubChem CID 118129672) has the molecular formula C8H8Cl2F2 and a molecular weight of 213.05 g/mol. Its IUPAC name is 1,2-dichloroethane;1,4-difluorobenzene.

Molecular Properties

Compound Name1,2-dichloroethane;1,4-difluorobenzene
PubChem CID118129672
Molecular FormulaC8H8Cl2F2
Molecular Weight213.05 g/mol
Exact Mass212.00
IUPAC Name1,2-dichloroethane;1,4-difluorobenzene
SMILESClCCCl.Fc1ccc(F)cc1
InChIInChI=1S/C6H4F2.C2H4Cl2/c7-5-1-2-6(8)4-3-5;3-1-2-4/h1-4H;1-2H2
InChIKeyNOSQTGUXRATFSG-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.05
LogP ≤ 53.43
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 1,2-dichloroethane;1,4-difluorobenzene?
The IUPAC name of 1,2-dichloroethane;1,4-difluorobenzene (CID 118129672) is 1,2-dichloroethane;1,4-difluorobenzene.
What is the SMILES notation for 1,2-dichloroethane;1,4-difluorobenzene?
The canonical SMILES for 1,2-dichloroethane;1,4-difluorobenzene is ClCCCl.Fc1ccc(F)cc1.
What is the InChIKey of 1,2-dichloroethane;1,4-difluorobenzene?
The InChIKey is NOSQTGUXRATFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2.C2H4Cl2/c7-5-1-2-6(8)4-3-5;3-1-2-4/h1-4H;1-2H2.
What are the key properties of 1,2-dichloroethane;1,4-difluorobenzene?
1,2-dichloroethane;1,4-difluorobenzene has a molecular weight of 213.05 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloroethane;1,4-difluorobenzene is sourced from PubChem (CID 118129672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).