1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane

C4Cl4F6O — CID 22625247

IUPAC1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
SMILESFC(F)(Cl)C(F)(Cl)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl4F6O/c5-1(9,10)3(7,13)15-4(8,14)2(6,11)12
InChIKeyHJGLRKGSIAWDBK-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.39
Rot. Bonds4

About 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane

1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane (PubChem CID 22625247) has the molecular formula C4Cl4F6O and a molecular weight of 319.84 g/mol. Its IUPAC name is 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane.

Molecular Properties

Compound Name1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
PubChem CID22625247
Molecular FormulaC4Cl4F6O
Molecular Weight319.84 g/mol
Exact Mass317.86
IUPAC Name1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
SMILESFC(F)(Cl)C(F)(Cl)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C4Cl4F6O/c5-1(9,10)3(7,13)15-4(8,14)2(6,11)12
InChIKeyHJGLRKGSIAWDBK-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.39
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 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane?
The IUPAC name of 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane (CID 22625247) is 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane.
What is the SMILES notation for 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane?
The canonical SMILES for 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane is FC(F)(Cl)C(F)(Cl)OC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane?
The InChIKey is HJGLRKGSIAWDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl4F6O/c5-1(9,10)3(7,13)15-4(8,14)2(6,11)12.
What are the key properties of 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane?
1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane has a molecular weight of 319.84 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane is sourced from PubChem (CID 22625247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).