4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one

C17H12F3NO — CID 13300328

IUPAC4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccccc1
InChIInChI=1S/C17H12F3NO/c18-17(19,20)13-8-6-11(7-9-13)14-10-21-16(22)15(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,21,22)
InChIKeyDQOSOTIKDZAXKT-UHFFFAOYSA-N
MW303.28 g/mol
LogP3.75
Rot. Bonds2

About 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one

4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one (PubChem CID 13300328) has the molecular formula C17H12F3NO and a molecular weight of 303.28 g/mol. Its IUPAC name is 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
PubChem CID13300328
Molecular FormulaC17H12F3NO
Molecular Weight303.28 g/mol
Exact Mass303.09
IUPAC Name4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccccc1
InChIInChI=1S/C17H12F3NO/c18-17(19,20)13-8-6-11(7-9-13)14-10-21-16(22)15(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,21,22)
InChIKeyDQOSOTIKDZAXKT-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one (CID 13300328) is 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one is O=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccccc1.
What is the InChIKey of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The InChIKey is DQOSOTIKDZAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO/c18-17(19,20)13-8-6-11(7-9-13)14-10-21-16(22)15(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,21,22).
What are the key properties of 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one has a molecular weight of 303.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 13300328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).