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

C9F18O3 — CID 175703673

IUPAC1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C9F18O3/c10-1(2(11)12)3(13,14)28-7(21,22)8(23,24)29-5(17,18)4(15,16)6(19,20)30-9(25,26)27
InChIKeyMMNRFVDNFDTXGL-UHFFFAOYSA-N
MW498.06 g/mol
LogP6.23
Rot. Bonds9

About 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

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 (PubChem CID 175703673) has the molecular formula C9F18O3 and a molecular weight of 498.06 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
PubChem CID175703673
Molecular FormulaC9F18O3
Molecular Weight498.06 g/mol
Exact Mass497.96
IUPAC Name1,1,2,2,3,3-hexafluoro-1-[1,1,2,2-tetrafluoro-2-(1,1,2,3,3-pentafluoroprop-2-enoxy)ethoxy]-3-(trifluoromethoxy)propane
SMILESFC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C9F18O3/c10-1(2(11)12)3(13,14)28-7(21,22)8(23,24)29-5(17,18)4(15,16)6(19,20)30-9(25,26)27
InChIKeyMMNRFVDNFDTXGL-UHFFFAOYSA-N
XLogP6.23
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.06
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 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?
The InChIKey is MMNRFVDNFDTXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9F18O3/c10-1(2(11)12)3(13,14)28-7(21,22)8(23,24)29-5(17,18)4(15,16)6(19,20)30-9(25,26)27.
What are the key properties of 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?
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 has a molecular weight of 498.06 g/mol, XLogP of 6.23, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175703673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).