1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane

C8Cl2F16O2 — CID 172796865

IUPAC1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane
SMILESFC(F)(Cl)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8Cl2F16O2/c9-3(15,16)1(11,12)2(13,14)5(19,20)27-7(23,24)8(25,26)28-6(21,22)4(10,17)18
InChIKeyQHZWOEOQHBOKDU-UHFFFAOYSA-N
MW502.96 g/mol
LogP6.32
Rot. Bonds9

About 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane

1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane (PubChem CID 172796865) has the molecular formula C8Cl2F16O2 and a molecular weight of 502.96 g/mol. Its IUPAC name is 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane.

Molecular Properties

Compound Name1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane
PubChem CID172796865
Molecular FormulaC8Cl2F16O2
Molecular Weight502.96 g/mol
Exact Mass501.90
IUPAC Name1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane
SMILESFC(F)(Cl)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
InChIInChI=1S/C8Cl2F16O2/c9-3(15,16)1(11,12)2(13,14)5(19,20)27-7(23,24)8(25,26)28-6(21,22)4(10,17)18
InChIKeyQHZWOEOQHBOKDU-UHFFFAOYSA-N
XLogP6.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.96
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
The IUPAC name of 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane (CID 172796865) is 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane.
What is the SMILES notation for 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
The canonical SMILES for 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane is FC(F)(Cl)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl.
What is the InChIKey of 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
The InChIKey is QHZWOEOQHBOKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Cl2F16O2/c9-3(15,16)1(11,12)2(13,14)5(19,20)27-7(23,24)8(25,26)28-6(21,22)4(10,17)18.
What are the key properties of 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane?
1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane has a molecular weight of 502.96 g/mol, XLogP of 6.32, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(2-chloro-1,1,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoroethoxy]-1,1,2,2,3,3,4,4-octafluorobutane is sourced from PubChem (CID 172796865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).