1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane

C5Cl7F5O — CID 59509913

IUPAC1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
SMILESFC(F)(Cl)C(Cl)(Cl)C(F)(F)OC(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl7F5O/c6-1(7,3(11,13)14)5(16,17)18-4(12,15)2(8,9)10
InChIKeyCHAODJZKIXHJKH-UHFFFAOYSA-N
MW419.22 g/mol
LogP5.83
Rot. Bonds4

About 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane

1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane (PubChem CID 59509913) has the molecular formula C5Cl7F5O and a molecular weight of 419.22 g/mol. Its IUPAC name is 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane.

Molecular Properties

Compound Name1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
PubChem CID59509913
Molecular FormulaC5Cl7F5O
Molecular Weight419.22 g/mol
Exact Mass415.77
IUPAC Name1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
SMILESFC(F)(Cl)C(Cl)(Cl)C(F)(F)OC(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl7F5O/c6-1(7,3(11,13)14)5(16,17)18-4(12,15)2(8,9)10
InChIKeyCHAODJZKIXHJKH-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.22
LogP ≤ 55.83
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 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The IUPAC name of 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane (CID 59509913) is 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane.
What is the SMILES notation for 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The canonical SMILES for 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane is FC(F)(Cl)C(Cl)(Cl)C(F)(F)OC(F)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The InChIKey is CHAODJZKIXHJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl7F5O/c6-1(7,3(11,13)14)5(16,17)18-4(12,15)2(8,9)10.
What are the key properties of 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane has a molecular weight of 419.22 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trichloro-1,1,3,3-tetrafluoro-3-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane is sourced from PubChem (CID 59509913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).