1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane

C5Cl2F9IO — CID 101153179

IUPAC1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane
SMILESFC(F)(F)C(F)(I)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl2F9IO/c6-2(9,10)3(7,11)18-5(15,16)1(8,17)4(12,13)14
InChIKeyWTJZYMPTLORTMX-UHFFFAOYSA-N
MW444.85 g/mol
LogP4.95
Rot. Bonds4

About 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane

1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane (PubChem CID 101153179) has the molecular formula C5Cl2F9IO and a molecular weight of 444.85 g/mol. Its IUPAC name is 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane.

Molecular Properties

Compound Name1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane
PubChem CID101153179
Molecular FormulaC5Cl2F9IO
Molecular Weight444.85 g/mol
Exact Mass443.82
IUPAC Name1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane
SMILESFC(F)(F)C(F)(I)C(F)(F)OC(F)(Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl2F9IO/c6-2(9,10)3(7,11)18-5(15,16)1(8,17)4(12,13)14
InChIKeyWTJZYMPTLORTMX-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.85
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane?
The IUPAC name of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane (CID 101153179) is 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane.
What is the SMILES notation for 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane?
The canonical SMILES for 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane is FC(F)(F)C(F)(I)C(F)(F)OC(F)(Cl)C(F)(F)Cl.
What is the InChIKey of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane?
The InChIKey is WTJZYMPTLORTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F9IO/c6-2(9,10)3(7,11)18-5(15,16)1(8,17)4(12,13)14.
What are the key properties of 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane?
1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane has a molecular weight of 444.85 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-iodopropane is sourced from PubChem (CID 101153179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).