2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole

C16H13F2N — CID 11076091

IUPAC2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1CCC(c2ccccc2)=N1
InChIInChI=1S/C16H13F2N/c17-12-7-4-8-13(18)16(12)15-10-9-14(19-15)11-5-2-1-3-6-11/h1-8,15H,9-10H2
InChIKeyPOVWKLUYGDHFDJ-UHFFFAOYSA-N
MW257.28 g/mol
LogP4.29
Rot. Bonds2

About 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole

2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole (PubChem CID 11076091) has the molecular formula C16H13F2N and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole
PubChem CID11076091
Molecular FormulaC16H13F2N
Molecular Weight257.28 g/mol
Exact Mass257.10
IUPAC Name2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1CCC(c2ccccc2)=N1
InChIInChI=1S/C16H13F2N/c17-12-7-4-8-13(18)16(12)15-10-9-14(19-15)11-5-2-1-3-6-11/h1-8,15H,9-10H2
InChIKeyPOVWKLUYGDHFDJ-UHFFFAOYSA-N
XLogP4.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole (CID 11076091) is 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1CCC(c2ccccc2)=N1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is POVWKLUYGDHFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N/c17-12-7-4-8-13(18)16(12)15-10-9-14(19-15)11-5-2-1-3-6-11/h1-8,15H,9-10H2.
What are the key properties of 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole?
2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 257.28 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-phenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 11076091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).