5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

C16H12Cl2FN — CID 58915262

IUPAC5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3c(Cl)cccc3Cl)=N2)cc1
InChIInChI=1S/C16H12Cl2FN/c17-12-2-1-3-13(18)16(12)15-9-8-14(20-15)10-4-6-11(19)7-5-10/h1-7,14H,8-9H2
InChIKeyBNVJTTXPQDTFNE-UHFFFAOYSA-N
MW308.18 g/mol
LogP5.46
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole

5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (PubChem CID 58915262) has the molecular formula C16H12Cl2FN and a molecular weight of 308.18 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
PubChem CID58915262
Molecular FormulaC16H12Cl2FN
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2CCC(c3c(Cl)cccc3Cl)=N2)cc1
InChIInChI=1S/C16H12Cl2FN/c17-12-2-1-3-13(18)16(12)15-9-8-14(20-15)10-4-6-11(19)7-5-10/h1-7,14H,8-9H2
InChIKeyBNVJTTXPQDTFNE-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-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole (CID 58915262) is 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is Fc1ccc(C2CCC(c3c(Cl)cccc3Cl)=N2)cc1.
What is the InChIKey of 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is BNVJTTXPQDTFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2FN/c17-12-2-1-3-13(18)16(12)15-9-8-14(20-15)10-4-6-11(19)7-5-10/h1-7,14H,8-9H2.
What are the key properties of 5-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole?
5-(2,6-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-(2,6-dichlorophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).