1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane

C5Cl5F7O — CID 59509899

IUPAC1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
SMILESFC(Cl)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C5Cl5F7O/c6-2(7,13)1(11,12)5(16,17)18-4(10,15)3(8,9)14
InChIKeyLHCYDYVDWUPAKY-UHFFFAOYSA-N
MW386.31 g/mol
LogP5.30
Rot. Bonds5

About 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane

1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane (PubChem CID 59509899) has the molecular formula C5Cl5F7O and a molecular weight of 386.31 g/mol. Its IUPAC name is 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane.

Molecular Properties

Compound Name1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
PubChem CID59509899
Molecular FormulaC5Cl5F7O
Molecular Weight386.31 g/mol
Exact Mass383.83
IUPAC Name1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
SMILESFC(Cl)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C5Cl5F7O/c6-2(7,13)1(11,12)5(16,17)18-4(10,15)3(8,9)14
InChIKeyLHCYDYVDWUPAKY-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The IUPAC name of 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane (CID 59509899) is 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane.
What is the SMILES notation for 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The canonical SMILES for 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane is FC(Cl)(Cl)C(F)(Cl)OC(F)(F)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The InChIKey is LHCYDYVDWUPAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl5F7O/c6-2(7,13)1(11,12)5(16,17)18-4(10,15)3(8,9)14.
What are the key properties of 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane has a molecular weight of 386.31 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,2,2,3,3-pentafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane is sourced from PubChem (CID 59509899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).