3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one

C11H7F3O — CID 65174629

IUPAC3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C11H7F3O/c12-9-4-3-8(10(13)11(9)14)6-1-2-7(15)5-6/h3-5H,1-2H2
InChIKeyYSPPLHDQKUYSOD-UHFFFAOYSA-N
MW212.17 g/mol
LogP2.85
Rot. Bonds1

About 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one

3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one (PubChem CID 65174629) has the molecular formula C11H7F3O and a molecular weight of 212.17 g/mol. Its IUPAC name is 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one
PubChem CID65174629
Molecular FormulaC11H7F3O
Molecular Weight212.17 g/mol
Exact Mass212.04
IUPAC Name3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one
SMILESO=C1C=C(c2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C11H7F3O/c12-9-4-3-8(10(13)11(9)14)6-1-2-7(15)5-6/h3-5H,1-2H2
InChIKeyYSPPLHDQKUYSOD-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.17
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one?
The IUPAC name of 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one (CID 65174629) is 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one is O=C1C=C(c2ccc(F)c(F)c2F)CC1.
What is the InChIKey of 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one?
The InChIKey is YSPPLHDQKUYSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O/c12-9-4-3-8(10(13)11(9)14)6-1-2-7(15)5-6/h3-5H,1-2H2.
What are the key properties of 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one?
3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one has a molecular weight of 212.17 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,4-trifluorophenyl)cyclopent-2-en-1-one is sourced from PubChem (CID 65174629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).