3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene

C12H14F8O5 — CID 57259911

IUPAC3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene
SMILESC=CC(OC(C=C)OC(F)(F)C(F)(F)OC)OC(F)(F)C(F)(F)OC
InChIInChI=1S/C12H14F8O5/c1-5-7(24-11(17,18)9(13,14)21-3)23-8(6-2)25-12(19,20)10(15,16)22-4/h5-8H,1-2H2,3-4H3
InChIKeyHVLQCYUKRWRYPX-UHFFFAOYSA-N
MW390.22 g/mol
LogP3.72
Rot. Bonds12

About 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene

3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene (PubChem CID 57259911) has the molecular formula C12H14F8O5 and a molecular weight of 390.22 g/mol. Its IUPAC name is 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene.

Molecular Properties

Compound Name3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene
PubChem CID57259911
Molecular FormulaC12H14F8O5
Molecular Weight390.22 g/mol
Exact Mass390.07
IUPAC Name3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene
SMILESC=CC(OC(C=C)OC(F)(F)C(F)(F)OC)OC(F)(F)C(F)(F)OC
InChIInChI=1S/C12H14F8O5/c1-5-7(24-11(17,18)9(13,14)21-3)23-8(6-2)25-12(19,20)10(15,16)22-4/h5-8H,1-2H2,3-4H3
InChIKeyHVLQCYUKRWRYPX-UHFFFAOYSA-N
XLogP3.72
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.22
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1-Difluoro-2-(2-methoxyethoxymethoxy)-3-prop-2-enoxyprop-1-ene
CID 10847511
1,1,1,2,2,3,3-Heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)prop-2-enoxy]prop-2-enoxy]propane
CID 57280272
3-[2-[[2-(2,2-Difluoroethenoxy)-1,1,2,2-tetrafluoroethoxy]-difluoromethoxy]-2,2-difluoroethoxy]prop-1-ene
CID 59866553
3-[1,1,2,2,2-Pentakis(fluoromethoxy)ethoxy]-3-[1-[1,1,2,2,2-pentakis(fluoromethoxy)ethoxy]prop-2-enoxy]prop-1-ene
CID 88222594
1-[3-[2,2-Bis(ethenoxy)ethoxy]-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 89441104
3-[Tris(2,2,2-trifluoroethoxy)methoxy]prop-1-ene
CID 102038621
1-[3-(2-Ethenoxy-2-ethoxyethoxy)-1,1,1,2-tetrafluoropropan-2-yl]oxy-1,1,2,3,3,3-hexafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 121401315
1,1,1-Trifluoro-4,4-bis(prop-2-enoxy)butane
CID 153524638
3-[2-[[2-(1,1-Difluoro-2-prop-2-enoxyethoxy)-2,2-difluoroethoxy]methoxy]ethoxy]prop-1-ene
CID 158483688
1-[2-[Difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane;methane;3-(prop-2-enoxymethoxy)prop-1-ene
CID 158929108
1-[2-[Difluoro(propoxy)methoxy]-1,1,2,2-tetrafluoroethoxy]propane;3-(prop-2-enoxymethoxy)prop-1-ene
CID 161028972
1-(Difluoromethoxy)-1-prop-2-enoxypropane
CID 173067657

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene?
The IUPAC name of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene (CID 57259911) is 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene.
What is the SMILES notation for 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene?
The canonical SMILES for 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene is C=CC(OC(C=C)OC(F)(F)C(F)(F)OC)OC(F)(F)C(F)(F)OC.
What is the InChIKey of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene?
The InChIKey is HVLQCYUKRWRYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F8O5/c1-5-7(24-11(17,18)9(13,14)21-3)23-8(6-2)25-12(19,20)10(15,16)22-4/h5-8H,1-2H2,3-4H3.
What are the key properties of 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene?
3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene has a molecular weight of 390.22 g/mol, XLogP of 3.72, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,2,2-tetrafluoro-2-methoxyethoxy)-3-[1-(1,1,2,2-tetrafluoro-2-methoxyethoxy)prop-2-enoxy]prop-1-ene is sourced from PubChem (CID 57259911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).