1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane

C6H2Cl2F10O3 — CID 159201056

IUPAC1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane
SMILESFC(F)(F)OC(F)(Cl)C(F)(F)Cl.FC1(F)COC(F)(F)O1
InChIInChI=1S/C3Cl2F6O.C3H2F4O2/c4-1(6,7)2(5,8)12-3(9,10)11;4-2(5)1-8-3(6,7)9-2/h;1H2
InChIKeyKPHIXYDERYVFPI-UHFFFAOYSA-N
MW382.97 g/mol
LogP4.39
Rot. Bonds2

About 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane

1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane (PubChem CID 159201056) has the molecular formula C6H2Cl2F10O3 and a molecular weight of 382.97 g/mol. Its IUPAC name is 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane.

Molecular Properties

Compound Name1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane
PubChem CID159201056
Molecular FormulaC6H2Cl2F10O3
Molecular Weight382.97 g/mol
Exact Mass381.92
IUPAC Name1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane
SMILESFC(F)(F)OC(F)(Cl)C(F)(F)Cl.FC1(F)COC(F)(F)O1
InChIInChI=1S/C3Cl2F6O.C3H2F4O2/c4-1(6,7)2(5,8)12-3(9,10)11;4-2(5)1-8-3(6,7)9-2/h;1H2
InChIKeyKPHIXYDERYVFPI-UHFFFAOYSA-N
XLogP4.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.97
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
1,1,1,2-tetrachloro-2-fluoro-2-(trifluoromethoxy)ethane
CID 59509986
2,2-difluorooxirane
CID 19829575
2,2,3,3,5,5-hexafluoro-1,4-dioxane
CID 11194916
2-ethenyl-4,4-difluoro-2-(trifluoromethyl)-1,3-dioxolane
CID 21015219
2,2,4,4-tetrafluoro-1,3-dioxane-5,5-diol
CID 89164183
2-(3-chloro-1,1,2,2,3,3-hexafluoropropyl)-2,3,3-trifluorooxirane
CID 86219176
1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane
CID 101153179
1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane
CID 15700925
1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
CID 11463803
2-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,2-tetrafluoroethanesulfonyl fluoride
CID 11360103
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane?
The IUPAC name of 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane (CID 159201056) is 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane.
What is the SMILES notation for 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane?
The canonical SMILES for 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane is FC(F)(F)OC(F)(Cl)C(F)(F)Cl.FC1(F)COC(F)(F)O1.
What is the InChIKey of 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane?
The InChIKey is KPHIXYDERYVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F6O.C3H2F4O2/c4-1(6,7)2(5,8)12-3(9,10)11;4-2(5)1-8-3(6,7)9-2/h;1H2.
What are the key properties of 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane?
1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane has a molecular weight of 382.97 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethane;2,2,4,4-tetrafluoro-1,3-dioxolane is sourced from PubChem (CID 159201056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).