5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

C16H12Cl2FN — CID 58915352

IUPAC5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3cc(Cl)ccc3Cl)=N2)cc1
InChIInChI=1S/C16H12Cl2FN/c17-11-3-6-14(18)13(9-11)16-8-7-15(20-16)10-1-4-12(19)5-2-10/h1-6,9,15H,7-8H2
InChIKeyQKCPRMZJIHCHPR-UHFFFAOYSA-N
MW308.18 g/mol
LogP5.46
Rot. Bonds2

About 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915352) has the molecular formula C16H12Cl2FN and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915352
Molecular FormulaC16H12Cl2FN
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3cc(Cl)ccc3Cl)=N2)cc1
InChIInChI=1S/C16H12Cl2FN/c17-11-3-6-14(18)13(9-11)16-8-7-15(20-16)10-1-4-12(19)5-2-10/h1-6,9,15H,7-8H2
InChIKeyQKCPRMZJIHCHPR-UHFFFAOYSA-N
XLogP5.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.18
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915352) is 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3cc(Cl)ccc3Cl)=N2)cc1.
What is the InChIKey of 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is QKCPRMZJIHCHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN/c17-11-3-6-14(18)13(9-11)16-8-7-15(20-16)10-1-4-12(19)5-2-10/h1-6,9,15H,7-8H2.
What are the key properties of 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 308.18 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).