1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol

C18H24F6O2 — CID 22887492

About 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol

1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol (PubChem CID 22887492) has the molecular formula C18H24F6O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol
• PubChem CID: 22887492
• Molecular Formula: C18H24F6O2
• Molecular Weight: 386.38 g/mol
• Exact Mass: 386.17
• IUPAC Name: 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol
• SMILES: CC1CC(C2C(C(C)(O)C(F)(F)F)=CCC2C)C=C1C(C)(O)C(F)(F)F
• InChI: InChI=1S/C18H24F6O2/c1-9-5-6-12(15(3,25)17(19,20)21)14(9)11-7-10(2)13(8-11)16(4,26)18(22,23)24/h6,8-11,14,25-26H,5,7H2,1-4H3
• InChIKey: HICMZMDBNRZKNV-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.38
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol?

The IUPAC name of 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol (CID 22887492) is 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol.

What is the SMILES notation for 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol?

The canonical SMILES for 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol is CC1CC(C2C(C(C)(O)C(F)(F)F)=CCC2C)C=C1C(C)(O)C(F)(F)F.

What is the InChIKey of 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol?

The InChIKey is HICMZMDBNRZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F6O2/c1-9-5-6-12(15(3,25)17(19,20)21)14(9)11-7-10(2)13(8-11)16(4,26)18(22,23)24/h6,8-11,14,25-26H,5,7H2,1-4H3.

What are the key properties of 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol?

1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol has a molecular weight of 386.38 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoro-2-[4-methyl-5-[4-methyl-3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclopent-2-en-1-yl]cyclopenten-1-yl]propan-2-ol is sourced from PubChem (CID 22887492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).