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

C5Cl5F7O — CID 59509883

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

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

1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane (PubChem CID 59509883) has the molecular formula C5Cl5F7O and a molecular weight of 386.31 g/mol. Its IUPAC name is 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane.

Molecular Properties

Compound Name1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane
PubChem CID59509883
Molecular FormulaC5Cl5F7O
Molecular Weight386.31 g/mol
Exact Mass383.83
IUPAC Name1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane
SMILESFC(F)(Cl)C(F)(OC(F)(Cl)C(F)(Cl)Cl)C(F)(F)Cl
InChIInChI=1S/C5Cl5F7O/c6-2(7,12)5(10,17)18-1(11,3(8,13)14)4(9,15)16
InChIKeyCWOLKXFGTJJJSP-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'}

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Related Compounds

2-(1,2-Dichloro-1,2,2-trifluoroethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 3020928
1,1-Dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane
CID 59509934
2,2-Dichlorotrifluoroethyl 1,1,3-trichlorotetrafluoropropyl ether
CID 143775
1,2,4,4,6,7-Hexachloro-1,1,2,5,5,6,7,7-octafluoro-3-oxa-heptane
CID 12010405
1,2-Dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2,2-tetrachloro-1-fluoroethoxy)butane
CID 16655136
1,2-Dichloro-2-(dichloromethoxy)-1,1,3,3,3-pentafluoropropane
CID 21532701
1,1,2-Trichloro-2,2-difluoro-1-(1,1,2-trichloro-2,2-difluoroethoxy)ethane
CID 22625251
1,2-Dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
CID 58623361
1,1,1,2-Tetrachloro-3,3,3-trifluoro-2-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
CID 59509884
1,3-Dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
CID 59509886
1,1,1,2,3-Pentachloro-3,3-difluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane
CID 59509887
1,1,1-Trichloro-2,2-difluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane
CID 59509889

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The IUPAC name of 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane (CID 59509883) is 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane.
What is the SMILES notation for 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The canonical SMILES for 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane is FC(F)(Cl)C(F)(OC(F)(Cl)C(F)(Cl)Cl)C(F)(F)Cl.
What is the InChIKey of 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
The InChIKey is CWOLKXFGTJJJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl5F7O/c6-2(7,12)5(10,17)18-1(11,3(8,13)14)4(9,15)16.
What are the key properties of 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane?
1,3-dichloro-1,1,2,3,3-pentafluoro-2-(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 1,3-dichloro-1,1,2,3,3-pentafluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)propane is sourced from PubChem (CID 59509883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).