1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane

C11H4F18O3 — CID 166762546

IUPAC1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)F)C(F)(F)OC(F)(F)C(F)=C(F)F
InChIInChI=1S/C11H4F18O3/c1-5(17,18)9(24,25)32-11(28,29)8(23,30-7(21,22)4(15)16)10(26,27)31-6(19,20)2(12)3(13)14/h4H,1H3
InChIKeyFTPFPECMYJQWAY-UHFFFAOYSA-N
MW526.11 g/mol
LogP6.66
Rot. Bonds11

About 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane

1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane (PubChem CID 166762546) has the molecular formula C11H4F18O3 and a molecular weight of 526.11 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane
PubChem CID166762546
Molecular FormulaC11H4F18O3
Molecular Weight526.11 g/mol
Exact Mass525.99
IUPAC Name1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane
SMILESCC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)F)C(F)(F)OC(F)(F)C(F)=C(F)F
InChIInChI=1S/C11H4F18O3/c1-5(17,18)9(24,25)32-11(28,29)8(23,30-7(21,22)4(15)16)10(26,27)31-6(19,20)2(12)3(13)14/h4H,1H3
InChIKeyFTPFPECMYJQWAY-UHFFFAOYSA-N
XLogP6.66
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.11
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane with MolForge

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Related Compounds

1,1,2,3,3-pentafluoro-3-(1,1,2-trifluoropropoxy)prop-1-ene
CID 89441122
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-bis(1,1,2,3,3-pentafluoroprop-2-enoxy)hexane
CID 20507002
1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(1,2,2-trifluoroethenoxy)ethoxy]prop-1-ene
CID 175690413
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,3,3-pentafluoroprop-2-enoxy)propane
CID 86252912
1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
CID 175703673
1,1,2,2,3,3,4,4-octafluoro-1-(1,1,2,2-tetrafluoroethoxy)pentane
CID 129185682
1,1,1,2,3,3,3-heptafluoro-2-(1,1,2,2-tetrafluoroethoxy)propane
CID 12663045
3,3,4,4-tetrafluoro-4-(1,1,2,3,3-pentafluoroprop-2-enoxy)but-1-ene
CID 175690130
1,1,2,2-tetrafluoro-1-(1,2,2-trifluoroethenoxy)ethane
CID 14150208
2,3-dimethyl-2-(1,1,2,2-tetrafluoroethoxy)butane
CID 139669685
sodium 1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethanesulfonate
CID 175755990
3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
CID 88558531

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane?
The IUPAC name of 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane (CID 166762546) is 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane is CC(F)(F)C(F)(F)OC(F)(F)C(F)(OC(F)(F)C(F)F)C(F)(F)OC(F)(F)C(F)=C(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane?
The InChIKey is FTPFPECMYJQWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F18O3/c1-5(17,18)9(24,25)32-11(28,29)8(23,30-7(21,22)4(15)16)10(26,27)31-6(19,20)2(12)3(13)14/h4H,1H3.
What are the key properties of 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane?
1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane has a molecular weight of 526.11 g/mol, XLogP of 6.66, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-1-(1,1,2,3,3-pentafluoroprop-2-enoxy)-2-(1,1,2,2-tetrafluoroethoxy)-3-(1,1,2,2-tetrafluoropropoxy)propane is sourced from PubChem (CID 166762546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).