tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate

C25H6F30O10 — CID 138967148

About tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate

tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate (PubChem CID 138967148) has the molecular formula C25H6F30O10 and a molecular weight of 1036.25 g/mol. Its IUPAC name is tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate.

Molecular Properties

• Compound Name: tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
• PubChem CID: 138967148
• Molecular Formula: C25H6F30O10
• Molecular Weight: 1036.25 g/mol
• Exact Mass: 1035.95
• IUPAC Name: tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate
• SMILES: O=C(OC(C(F)(F)F)C(F)(F)F)C1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)C(C(=O)OC(C(F)(F)F)C(F)(F)F)=C(C(=O)OC(C(F)(F)F)C(F)(F)F)C1=C(O)OC(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C25H6F30O10/c26-16(27,28)11(17(29,30)31)61-6(56)1-2(7(57)62-12(18(32,33)34)19(35,36)37)4(9(59)64-14(22(44,45)46)23(47,48)49)5(10(60)65-15(24(50,51)52)25(53,54)55)3(1)8(58)63-13(20(38,39)40)21(41,42)43/h11-15,56H
• InChIKey: KEIAASVBUZQDMG-UHFFFAOYSA-N
• XLogP: 9.02
• TPSA: 134.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.25
LogP ≤ 5	9.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?

The IUPAC name of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate (CID 138967148) is tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate.

What is the SMILES notation for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?

The canonical SMILES for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)C1=C(C(=O)OC(C(F)(F)F)C(F)(F)F)C(C(=O)OC(C(F)(F)F)C(F)(F)F)=C(C(=O)OC(C(F)(F)F)C(F)(F)F)C1=C(O)OC(C(F)(F)F)C(F)(F)F.

What is the InChIKey of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?

The InChIKey is KEIAASVBUZQDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H6F30O10/c26-16(27,28)11(17(29,30)31)61-6(56)1-2(7(57)62-12(18(32,33)34)19(35,36)37)4(9(59)64-14(22(44,45)46)23(47,48)49)5(10(60)65-15(24(50,51)52)25(53,54)55)3(1)8(58)63-13(20(38,39)40)21(41,42)43/h11-15,56H.

What are the key properties of tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate?

tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate has a molecular weight of 1036.25 g/mol, XLogP of 9.02, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(1,1,1,3,3,3-hexafluoropropan-2-yl) 5-[1,1,1,3,3,3-hexafluoropropan-2-yloxy(hydroxy)methylidene]cyclopenta-1,3-diene-1,2,3,4-tetracarboxylate is sourced from PubChem (CID 138967148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).