1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione

C14H7F3O2 — CID 58625844

IUPAC1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H7F3O2/c15-10-6-9(7-11(16)12(10)17)14(19)13(18)8-4-2-1-3-5-8/h1-7H
InChIKeyUFLNSKJOCJPCJN-UHFFFAOYSA-N
MW264.20 g/mol
LogP3.17
Rot. Bonds3

About 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione

1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione (PubChem CID 58625844) has the molecular formula C14H7F3O2 and a molecular weight of 264.20 g/mol. Its IUPAC name is 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione.

Molecular Properties

Compound Name1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione
PubChem CID58625844
Molecular FormulaC14H7F3O2
Molecular Weight264.20 g/mol
Exact Mass264.04
IUPAC Name1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione
SMILESO=C(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1
InChIInChI=1S/C14H7F3O2/c15-10-6-9(7-11(16)12(10)17)14(19)13(18)8-4-2-1-3-5-8/h1-7H
InChIKeyUFLNSKJOCJPCJN-UHFFFAOYSA-N
XLogP3.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,4-Naphthoquinone
CID 8530
Benzophenone
CID 3102
Acetophenone
CID 7410
1,2-Naphthoquinone
CID 10667
1-Phenyl-1-propanone
CID 7148
1-Phenyl-1,2-propanedione
CID 11363
Chalcone
CID 637760
Dibenzoylmethane
CID 8433
Benzil
CID 8651
Benzoylacetone
CID 7166
Diphenylcyclopropenone
CID 65057
p-METHYLACETOPHENONE
CID 8500

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione?
The IUPAC name of 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione (CID 58625844) is 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione.
What is the SMILES notation for 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione?
The canonical SMILES for 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione is O=C(C(=O)c1cc(F)c(F)c(F)c1)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione?
The InChIKey is UFLNSKJOCJPCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3O2/c15-10-6-9(7-11(16)12(10)17)14(19)13(18)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione?
1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione has a molecular weight of 264.20 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3,4,5-trifluorophenyl)ethane-1,2-dione is sourced from PubChem (CID 58625844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).