(4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

C13H11F3O2 — CID 102344413

IUPAC(4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3O2/c1-7-10(6-11(17)12(7)18)8-2-4-9(5-3-8)13(14,15)16/h2-5,10,18H,6H2,1H3/t10-/m0/s1
InChIKeyCGBSVKSRDRDORZ-JTQLQIEISA-N
MW256.22 g/mol
LogP3.59
Rot. Bonds1

About (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one

(4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (PubChem CID 102344413) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
PubChem CID102344413
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name(4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
SMILESCC1=C(O)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3O2/c1-7-10(6-11(17)12(7)18)8-2-4-9(5-3-8)13(14,15)16/h2-5,10,18H,6H2,1H3/t10-/m0/s1
InChIKeyCGBSVKSRDRDORZ-JTQLQIEISA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one (CID 102344413) is (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is CC1=C(O)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
The InChIKey is CGBSVKSRDRDORZ-JTQLQIEISA-N. The full InChI is InChI=1S/C13H11F3O2/c1-7-10(6-11(17)12(7)18)8-2-4-9(5-3-8)13(14,15)16/h2-5,10,18H,6H2,1H3/t10-/m0/s1.
What are the key properties of (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one?
(4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one has a molecular weight of 256.22 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-hydroxy-3-methyl-4-[4-(trifluoromethyl)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 102344413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).