2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid

C8HClF14O4 — CID 102331882

IUPAC2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C8HClF14O4/c9-5(14,15)3(12,6(16,17)18)27-8(22,23)4(13,7(19,20)21)26-2(10,11)1(24)25/h(H,24,25)
InChIKeyYSNPKFHYTGPTKW-UHFFFAOYSA-N
MW462.52 g/mol
LogP4.58
Rot. Bonds7

About 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid

2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid (PubChem CID 102331882) has the molecular formula C8HClF14O4 and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
PubChem CID102331882
Molecular FormulaC8HClF14O4
Molecular Weight462.52 g/mol
Exact Mass461.93
IUPAC Name2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)Cl
InChIInChI=1S/C8HClF14O4/c9-5(14,15)3(12,6(16,17)18)27-8(22,23)4(13,7(19,20)21)26-2(10,11)1(24)25/h(H,24,25)
InChIKeyYSNPKFHYTGPTKW-UHFFFAOYSA-N
XLogP4.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid?
The IUPAC name of 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid (CID 102331882) is 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid.
What is the SMILES notation for 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid?
The canonical SMILES for 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid is O=C(O)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)Cl.
What is the InChIKey of 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid?
The InChIKey is YSNPKFHYTGPTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HClF14O4/c9-5(14,15)3(12,6(16,17)18)27-8(22,23)4(13,7(19,20)21)26-2(10,11)1(24)25/h(H,24,25).
What are the key properties of 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid?
2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid has a molecular weight of 462.52 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-chloro-1,1,2,3,3,3-hexafluoropropan-2-yl)oxy-1,1,2,3,3,3-hexafluoropropan-2-yl]oxy-2,2-difluoroacetic acid is sourced from PubChem (CID 102331882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).