1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol

C16H10F12O2 — CID 23528230

About 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol (PubChem CID 23528230) has the molecular formula C16H10F12O2 and a molecular weight of 462.23 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol
• PubChem CID: 23528230
• Molecular Formula: C16H10F12O2
• Molecular Weight: 462.23 g/mol
• Exact Mass: 462.05
• IUPAC Name: 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol
• SMILES: OC(C1=CC=C(C2=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C2)C1)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C16H10F12O2/c17-13(18,19)11(29,14(20,21)22)9-3-1-7(5-9)8-2-4-10(6-8)12(30,15(23,24)25)16(26,27)28/h1-4,29-30H,5-6H2
• InChIKey: SAPCTTZBAJLIAC-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.23
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol?

The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol (CID 23528230) is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol.

What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol?

The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol is OC(C1=CC=C(C2=CC=C(C(O)(C(F)(F)F)C(F)(F)F)C2)C1)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol?

The InChIKey is SAPCTTZBAJLIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F12O2/c17-13(18,19)11(29,14(20,21)22)9-3-1-7(5-9)8-2-4-10(6-8)12(30,15(23,24)25)16(26,27)28/h1-4,29-30H,5-6H2.

What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol?

1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol has a molecular weight of 462.23 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]propan-2-ol is sourced from PubChem (CID 23528230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).