2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane

C4H2Cl4F4O — CID 22288049

IUPAC2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane
SMILESFC(F)(OC(F)(F)C(Cl)Cl)C(Cl)Cl
InChIInChI=1S/C4H2Cl4F4O/c5-1(6)3(9,10)13-4(11,12)2(7)8/h1-2H
InChIKeyLLSWESFIHBBZME-UHFFFAOYSA-N
MW283.86 g/mol
LogP3.80
Rot. Bonds4

About 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane

2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane (PubChem CID 22288049) has the molecular formula C4H2Cl4F4O and a molecular weight of 283.86 g/mol. Its IUPAC name is 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane.

Molecular Properties

Compound Name2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane
PubChem CID22288049
Molecular FormulaC4H2Cl4F4O
Molecular Weight283.86 g/mol
Exact Mass281.88
IUPAC Name2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane
SMILESFC(F)(OC(F)(F)C(Cl)Cl)C(Cl)Cl
InChIInChI=1S/C4H2Cl4F4O/c5-1(6)3(9,10)13-4(11,12)2(7)8/h1-2H
InChIKeyLLSWESFIHBBZME-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.86
LogP ≤ 53.80
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 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane?
The IUPAC name of 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane (CID 22288049) is 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane.
What is the SMILES notation for 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane?
The canonical SMILES for 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane is FC(F)(OC(F)(F)C(Cl)Cl)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane?
The InChIKey is LLSWESFIHBBZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2Cl4F4O/c5-1(6)3(9,10)13-4(11,12)2(7)8/h1-2H.
What are the key properties of 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane?
2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane has a molecular weight of 283.86 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2,2-dichloro-1,1-difluoroethoxy)-1,1-difluoroethane is sourced from PubChem (CID 22288049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).