1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane

C4H2Cl6F2O — CID 59509988

IUPAC1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane
SMILESFC(Cl)(Cl)C(F)(Cl)OCC(Cl)(Cl)Cl
InChIInChI=1S/C4H2Cl6F2O/c5-2(6,7)1-13-4(10,12)3(8,9)11/h1H2
InChIKeyQPZZMMKCEAIEIC-UHFFFAOYSA-N
MW316.77 g/mol
LogP4.34
Rot. Bonds3

About 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane

1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane (PubChem CID 59509988) has the molecular formula C4H2Cl6F2O and a molecular weight of 316.77 g/mol. Its IUPAC name is 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane
PubChem CID59509988
Molecular FormulaC4H2Cl6F2O
Molecular Weight316.77 g/mol
Exact Mass313.82
IUPAC Name1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane
SMILESFC(Cl)(Cl)C(F)(Cl)OCC(Cl)(Cl)Cl
InChIInChI=1S/C4H2Cl6F2O/c5-2(6,7)1-13-4(10,12)3(8,9)11/h1H2
InChIKeyQPZZMMKCEAIEIC-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.77
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane?
The IUPAC name of 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane (CID 59509988) is 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane.
What is the SMILES notation for 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane?
The canonical SMILES for 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane is FC(Cl)(Cl)C(F)(Cl)OCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane?
The InChIKey is QPZZMMKCEAIEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl6F2O/c5-2(6,7)1-13-4(10,12)3(8,9)11/h1H2.
What are the key properties of 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane?
1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane has a molecular weight of 316.77 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-1,2-difluoro-2-(2,2,2-trichloroethoxy)ethane is sourced from PubChem (CID 59509988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).