1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane

C5Cl6F6O — CID 59509974

IUPAC1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(Cl)OC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C5Cl6F6O/c6-1(12,3(9,14)15)4(10,16)18-5(11,17)2(7,8)13
InChIKeyYEWZUNDSHQPIPO-UHFFFAOYSA-N
MW402.76 g/mol
LogP5.56
Rot. Bonds5

About 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane

1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane (PubChem CID 59509974) has the molecular formula C5Cl6F6O and a molecular weight of 402.76 g/mol. Its IUPAC name is 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane.

Molecular Properties

Compound Name1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
PubChem CID59509974
Molecular FormulaC5Cl6F6O
Molecular Weight402.76 g/mol
Exact Mass399.80
IUPAC Name1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
SMILESFC(F)(Cl)C(F)(Cl)C(F)(Cl)OC(F)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C5Cl6F6O/c6-1(12,3(9,14)15)4(10,16)18-5(11,17)2(7,8)13
InChIKeyYEWZUNDSHQPIPO-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.76
LogP ≤ 55.56
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 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The IUPAC name of 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane (CID 59509974) is 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane.
What is the SMILES notation for 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The canonical SMILES for 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane is FC(F)(Cl)C(F)(Cl)C(F)(Cl)OC(F)(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The InChIKey is YEWZUNDSHQPIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl6F6O/c6-1(12,3(9,14)15)4(10,16)18-5(11,17)2(7,8)13.
What are the key properties of 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane has a molecular weight of 402.76 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane is sourced from PubChem (CID 59509974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).