1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride

C15H14F20O3 — CID 91323938

About 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride

1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride (PubChem CID 91323938) has the molecular formula C15H14F20O3 and a molecular weight of 622.23 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride.

Molecular Properties

• Compound Name: 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride
• PubChem CID: 91323938
• Molecular Formula: C15H14F20O3
• Molecular Weight: 622.23 g/mol
• Exact Mass: 622.06
• IUPAC Name: 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride
• SMILES: C=C(F)C(F)(F)OC(C)C(F)(F)F.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(C)C(F)(F)F.F.F
• InChI: InChI=1S/C9H6F12O2.C6H6F6O.2FH/c1-3(10)6(14,15)23-7(16,8(17,18)19)9(20,21)22-4(2)5(11,12)13;1-3(7)6(11,12)13-4(2)5(8,9)10;;/h4H,1H2,2H3;4H,1H2,2H3;2*1H
• InChIKey: CNJSEGRXLGYPBQ-UHFFFAOYSA-N
• XLogP: 8.20
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	622.23
LogP ≤ 5	8.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride?

The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride (CID 91323938) is 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride.

What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride?

The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride is C=C(F)C(F)(F)OC(C)C(F)(F)F.C=C(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(C)C(F)(F)F.F.F.

What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride?

The InChIKey is CNJSEGRXLGYPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O2.C6H6F6O.2FH/c1-3(10)6(14,15)23-7(16,8(17,18)19)9(20,21)22-4(2)5(11,12)13;1-3(7)6(11,12)13-4(2)5(8,9)10;;/h4H,1H2,2H3;4H,1H2,2H3;2*1H.

What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride?

1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride has a molecular weight of 622.23 g/mol, XLogP of 8.20, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,3,3-hexafluoro-3-(1,1,1-trifluoropropan-2-yloxy)-2-(1,1,2-trifluoroprop-2-enoxy)propane;1,1,1-trifluoro-2-(1,1,2-trifluoroprop-2-enoxy)propane;dihydrofluoride is sourced from PubChem (CID 91323938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).