1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone

C10H11F3O2 — CID 167074192

IUPAC1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone
SMILESCC(=O)C1=C(C(F)(F)F)CC(C)C=C1O
InChIInChI=1S/C10H11F3O2/c1-5-3-7(10(11,12)13)9(6(2)14)8(15)4-5/h4-5,15H,3H2,1-2H3
InChIKeyCJRZESRPJIFEFA-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.92
Rot. Bonds1

About 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone

1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone (PubChem CID 167074192) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone
PubChem CID167074192
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone
SMILESCC(=O)C1=C(C(F)(F)F)CC(C)C=C1O
InChIInChI=1S/C10H11F3O2/c1-5-3-7(10(11,12)13)9(6(2)14)8(15)4-5/h4-5,15H,3H2,1-2H3
InChIKeyCJRZESRPJIFEFA-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone?
The IUPAC name of 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone (CID 167074192) is 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone.
What is the SMILES notation for 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone?
The canonical SMILES for 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone is CC(=O)C1=C(C(F)(F)F)CC(C)C=C1O.
What is the InChIKey of 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone?
The InChIKey is CJRZESRPJIFEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-5-3-7(10(11,12)13)9(6(2)14)8(15)4-5/h4-5,15H,3H2,1-2H3.
What are the key properties of 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone?
1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone has a molecular weight of 220.19 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-hydroxy-4-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]ethanone is sourced from PubChem (CID 167074192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).