1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride

C9H9F11O2 — CID 91520578

IUPAC1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
SMILESC=C(F)C(F)(F)OCC(F)(F)C(F)(F)OC(C)C(F)(F)F.F
InChIInChI=1S/C9H8F10O2.FH/c1-4(10)8(16,17)20-3-6(11,12)9(18,19)21-5(2)7(13,14)15;/h5H,1,3H2,2H3;1H
InChIKeyRLISQOOJLXVUGF-UHFFFAOYSA-N
MW358.15 g/mol
LogP4.43
Rot. Bonds7

About 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride

1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride (PubChem CID 91520578) has the molecular formula C9H9F11O2 and a molecular weight of 358.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
PubChem CID91520578
Molecular FormulaC9H9F11O2
Molecular Weight358.15 g/mol
Exact Mass358.04
IUPAC Name1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
SMILESC=C(F)C(F)(F)OCC(F)(F)C(F)(F)OC(C)C(F)(F)F.F
InChIInChI=1S/C9H8F10O2.FH/c1-4(10)8(16,17)20-3-6(11,12)9(18,19)21-5(2)7(13,14)15;/h5H,1,3H2,2H3;1H
InChIKeyRLISQOOJLXVUGF-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.15
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3-Pentafluoro-3-(2-propoxypropoxy)prop-1-ene
CID 20525326
1,1,1,2,3,3-Hexafluoro-3-(1,1,1,3-tetrafluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802178
1-Ethoxy-1,1,2,2-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 20802234
1,1,2,2-Tetrafluoro-1-(2,2,2-trifluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 21052204
1,1,1,2-Tetrafluoro-3-(2-methoxyethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 22897551
1-Ethoxy-1,1,2,2,3,3-hexafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 57838221
1,1,2,2-Tetrafluoro-1-(2-fluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 59559041
2-[[2,3,3,3-Tetrafluoro-2-(1,1,2-trifluoroprop-2-enoxy)propoxy]methyl]oxirane
CID 60055095
2,2-Difluoro-1-[1,1,2,2-tetrafluoro-3-(1,1,2-trifluoroprop-2-enoxy)propoxy]butane
CID 60058115
1,1,2,2-Tetrafluoro-1-(1,2,2,2-tetrafluoroethoxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane
CID 60058116
3-Ethoxy-2,3,3-trifluoroprop-1-ene;bis(tetrafluoromethane);1,1,2-trifluoro-1-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane
CID 90956387
1,1,1,2,3,3-Hexafluoro-3-(2,2,2-trifluoroethoxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride
CID 91111246

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?
The IUPAC name of 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride (CID 91520578) is 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride is C=C(F)C(F)(F)OCC(F)(F)C(F)(F)OC(C)C(F)(F)F.F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?
The InChIKey is RLISQOOJLXVUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F10O2.FH/c1-4(10)8(16,17)20-3-6(11,12)9(18,19)21-5(2)7(13,14)15;/h5H,1,3H2,2H3;1H.
What are the key properties of 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride?
1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride has a molecular weight of 358.15 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-(1,1,1-trifluoropropan-2-yloxy)-3-(1,1,2-trifluoroprop-2-enoxy)propane;hydrofluoride is sourced from PubChem (CID 91520578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).