1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane

C8H3F13O2 — CID 58983400

IUPAC1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C8H3F13O2/c1-4(12,13)7(18,19)23-5(14,6(15,16)17)8(20,21)22-3(11)2(9)10/h1H3
InChIKeyGJUPPLMAOIIDRE-UHFFFAOYSA-N
MW378.08 g/mol
LogP5.12
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane

1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane (PubChem CID 58983400) has the molecular formula C8H3F13O2 and a molecular weight of 378.08 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane
PubChem CID58983400
Molecular FormulaC8H3F13O2
Molecular Weight378.08 g/mol
Exact Mass377.99
IUPAC Name1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChIInChI=1S/C8H3F13O2/c1-4(12,13)7(18,19)23-5(14,6(15,16)17)8(20,21)22-3(11)2(9)10/h1H3
InChIKeyGJUPPLMAOIIDRE-UHFFFAOYSA-N
XLogP5.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.08
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane (CID 58983400) is 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane is CC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane?
The InChIKey is GJUPPLMAOIIDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O2/c1-4(12,13)7(18,19)23-5(14,6(15,16)17)8(20,21)22-3(11)2(9)10/h1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane?
1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane has a molecular weight of 378.08 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane is sourced from PubChem (CID 58983400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).