3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one

C13H11F3O — CID 162535578

IUPAC3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one
SMILESCc1ccc(C2=C(C(F)(F)F)C(=O)CC2)cc1
InChIInChI=1S/C13H11F3O/c1-8-2-4-9(5-3-8)10-6-7-11(17)12(10)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyJIFWYUCFSNCEFI-UHFFFAOYSA-N
MW240.22 g/mol
LogP3.67
Rot. Bonds1

About 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one

3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one (PubChem CID 162535578) has the molecular formula C13H11F3O and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one
PubChem CID162535578
Molecular FormulaC13H11F3O
Molecular Weight240.22 g/mol
Exact Mass240.08
IUPAC Name3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one
SMILESCc1ccc(C2=C(C(F)(F)F)C(=O)CC2)cc1
InChIInChI=1S/C13H11F3O/c1-8-2-4-9(5-3-8)10-6-7-11(17)12(10)13(14,15)16/h2-5H,6-7H2,1H3
InChIKeyJIFWYUCFSNCEFI-UHFFFAOYSA-N
XLogP3.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one (CID 162535578) is 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one is Cc1ccc(C2=C(C(F)(F)F)C(=O)CC2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one?
The InChIKey is JIFWYUCFSNCEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O/c1-8-2-4-9(5-3-8)10-6-7-11(17)12(10)13(14,15)16/h2-5H,6-7H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one?
3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one has a molecular weight of 240.22 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(trifluoromethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 162535578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).