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

C16H18F8O2 — CID 23534650

IUPAC1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol
SMILESCC1CC(C2C(C(O)(F)C(F)(F)F)=CCC2C)C=C1C(O)(F)C(F)(F)F
InChIInChI=1S/C16H18F8O2/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/h4,6-9,12,25-26H,3,5H2,1-2H3
InChIKeyCHZWACUWFKPPGB-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.59
Rot. Bonds3

About 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

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 23534650) has the molecular formula C16H18F8O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is 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 Name1,2,2,2-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 CID23534650
Molecular FormulaC16H18F8O2
Molecular Weight394.30 g/mol
Exact Mass394.12
IUPAC Name1,2,2,2-tetrafluoro-1-[4-methyl-5-[4-methyl-3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)cyclopent-2-en-1-yl]cyclopenten-1-yl]ethanol
SMILESCC1CC(C2C(C(O)(F)C(F)(F)F)=CCC2C)C=C1C(O)(F)C(F)(F)F
InChIInChI=1S/C16H18F8O2/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/h4,6-9,12,25-26H,3,5H2,1-2H3
InChIKeyCHZWACUWFKPPGB-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 20760915
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 20760916
1,1,1-Trifluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 20760917
2-(2-Bicyclo[2.2.1]hept-2-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20760919
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
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
1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 58455651
5,6-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)bicyclo[2.2.1]hepta-2,5-dien-2-ol
CID 60125217
1,1,1-Trifluoro-2-[3-(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 68006648
1,1,1-Trifluoro-2-[4-(5-methylhexan-3-yl)cyclohexen-1-yl]but-3-en-2-ol
CID 68384493
1,1,1,3,3,3-hexafluoro-2-[(6R)-6-methyl-4-(5-methylhex-4-en-3-yl)cyclohexa-1,3-dien-1-yl]propan-2-ol
CID 89062357
1,1,1,3,3,3-Hexafluoro-2-[3-(2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]propan-2-ol
CID 89678550

Frequently Asked Questions

What is the IUPAC name of 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 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 23534650) is 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 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 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.
What is the InChIKey of 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 CHZWACUWFKPPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F8O2/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/h4,6-9,12,25-26H,3,5H2,1-2H3.
What are the key properties of 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?
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 394.30 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 23534650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).