1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane

C6Cl2F12O2 — CID 11463803

IUPAC1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
SMILESFC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C6Cl2F12O2/c7-1(9,2(8,10)11)3(12,13)21-4(14,15)5(16,17)22-6(18,19)20
InChIKeyJJKGNAPTCKMAHH-UHFFFAOYSA-N
MW402.95 g/mol
LogP5.05
Rot. Bonds6

About 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane

1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane (PubChem CID 11463803) has the molecular formula C6Cl2F12O2 and a molecular weight of 402.95 g/mol. Its IUPAC name is 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane.

Molecular Properties

Compound Name1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
PubChem CID11463803
Molecular FormulaC6Cl2F12O2
Molecular Weight402.95 g/mol
Exact Mass401.91
IUPAC Name1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
SMILESFC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C6Cl2F12O2/c7-1(9,2(8,10)11)3(12,13)21-4(14,15)5(16,17)22-6(18,19)20
InChIKeyJJKGNAPTCKMAHH-UHFFFAOYSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.95
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
The IUPAC name of 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane (CID 11463803) is 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane.
What is the SMILES notation for 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
The canonical SMILES for 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane is FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
The InChIKey is JJKGNAPTCKMAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl2F12O2/c7-1(9,2(8,10)11)3(12,13)21-4(14,15)5(16,17)22-6(18,19)20.
What are the key properties of 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane?
1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane has a molecular weight of 402.95 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane is sourced from PubChem (CID 11463803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).