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

C17H11F4NO — CID 13300317

IUPAC4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccccc1F
InChIInChI=1S/C17H11F4NO/c18-14-4-2-1-3-12(14)15-13(9-22-16(15)23)10-5-7-11(8-6-10)17(19,20)21/h1-8H,9H2,(H,22,23)
InChIKeyJPMRXLUPEVYCNZ-UHFFFAOYSA-N
MW321.27 g/mol
LogP3.89
Rot. Bonds2

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

4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one (PubChem CID 13300317) has the molecular formula C17H11F4NO and a molecular weight of 321.27 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
PubChem CID13300317
Molecular FormulaC17H11F4NO
Molecular Weight321.27 g/mol
Exact Mass321.08
IUPAC Name4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one
SMILESO=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccccc1F
InChIInChI=1S/C17H11F4NO/c18-14-4-2-1-3-12(14)15-13(9-22-16(15)23)10-5-7-11(8-6-10)17(19,20)21/h1-8H,9H2,(H,22,23)
InChIKeyJPMRXLUPEVYCNZ-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 53.89
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-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one (CID 13300317) is 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one is O=C1NCC(c2ccc(C(F)(F)F)cc2)=C1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
The InChIKey is JPMRXLUPEVYCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4NO/c18-14-4-2-1-3-12(14)15-13(9-22-16(15)23)10-5-7-11(8-6-10)17(19,20)21/h1-8H,9H2,(H,22,23).
What are the key properties of 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one?
4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one has a molecular weight of 321.27 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 13300317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).