1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

C8H3F13O2 — CID 58864059

IUPAC1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C8H3F13O2/c1-2(9)5(14,15)23-6(16,7(17,18)19)8(20,21)22-3(10)4(11,12)13/h3H,1H2
InChIKeyNQIWSSQOMYQVAK-UHFFFAOYSA-N
MW378.08 g/mol
LogP4.77
Rot. Bonds6

About 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane

1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (PubChem CID 58864059) 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-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
PubChem CID58864059
Molecular FormulaC8H3F13O2
Molecular Weight378.08 g/mol
Exact Mass377.99
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
SMILESC=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)C(F)(F)F
InChIInChI=1S/C8H3F13O2/c1-2(9)5(14,15)23-6(16,7(17,18)19)8(20,21)22-3(10)4(11,12)13/h3H,1H2
InChIKeyNQIWSSQOMYQVAK-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.08
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane (CID 58864059) is 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
The InChIKey is NQIWSSQOMYQVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F13O2/c1-2(9)5(14,15)23-6(16,7(17,18)19)8(20,21)22-3(10)4(11,12)13/h3H,1H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane has a molecular weight of 378.08 g/mol, XLogP of 4.77, 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-3-(1,2,2,2-tetrafluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane is sourced from PubChem (CID 58864059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).