bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol

C18H22F12O2 — CID 90854839

About bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol

bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol (PubChem CID 90854839) has the molecular formula C18H22F12O2 and a molecular weight of 498.35 g/mol. Its IUPAC name is bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol.

Molecular Properties

• Compound Name: bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol
• PubChem CID: 90854839
• Molecular Formula: C18H22F12O2
• Molecular Weight: 498.35 g/mol
• Exact Mass: 498.14
• IUPAC Name: bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol
• SMILES: CC1CC(C2C(C(O)(F)C(F)(F)F)=CCC2C)C=C1C(O)(F)C(F)(F)F.FCF.FCF
• InChI: InChI=1S/C16H18F8O2.2CH2F2/c1-7-3-4-10(13(17,25)15(19,20)21)12(7)9-5-8(2)11(6-9)14(18,26)16(22,23)24;2*2-1-3/h4,6-9,12,25-26H,3,5H2,1-2H3;2*1H2
• InChIKey: YKFFZLASVKCFLI-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 40.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.35
LogP ≤ 5	6.36
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 bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol?

The IUPAC name of bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol (CID 90854839) is bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol.

What is the SMILES notation for bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol?

The canonical SMILES for bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol is CC1CC(C2C(C(O)(F)C(F)(F)F)=CCC2C)C=C1C(O)(F)C(F)(F)F.FCF.FCF.

What is the InChIKey of bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol?

The InChIKey is YKFFZLASVKCFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F8O2.2CH2F2/c1-7-3-4-10(13(17,25)15(19,20)21)12(7)9-5-8(2)11(6-9)14(18,26)16(22,23)24;2*2-1-3/h4,6-9,12,25-26H,3,5H2,1-2H3;2*1H2.

What are the key properties of bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol?

bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol has a molecular weight of 498.35 g/mol, XLogP of 6.36, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(difluoromethane);1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol is sourced from PubChem (CID 90854839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).