(2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole

C24H19F2N — CID 142128908

IUPAC(2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESC=Cc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H19F2N/c1-2-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-14-15-23(27-22)24-20(25)4-3-5-21(24)26/h2-13,22H,1,14-15H2/t22-/m1/s1
InChIKeyPNQLMPGDEHJYAN-JOCHJYFZSA-N
MW359.42 g/mol
LogP6.60
Rot. Bonds4

About (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole

(2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 142128908) has the molecular formula C24H19F2N and a molecular weight of 359.42 g/mol. Its IUPAC name is (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID142128908
Molecular FormulaC24H19F2N
Molecular Weight359.42 g/mol
Exact Mass359.15
IUPAC Name(2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole
SMILESC=Cc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)cc2)cc1
InChIInChI=1S/C24H19F2N/c1-2-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-14-15-23(27-22)24-20(25)4-3-5-21(24)26/h2-13,22H,1,14-15H2/t22-/m1/s1
InChIKeyPNQLMPGDEHJYAN-JOCHJYFZSA-N
XLogP6.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.42
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole (CID 142128908) is (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole is C=Cc1ccc(-c2ccc([C@H]3CCC(c4c(F)cccc4F)=N3)cc2)cc1.
What is the InChIKey of (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is PNQLMPGDEHJYAN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H19F2N/c1-2-16-6-8-17(9-7-16)18-10-12-19(13-11-18)22-14-15-23(27-22)24-20(25)4-3-5-21(24)26/h2-13,22H,1,14-15H2/t22-/m1/s1.
What are the key properties of (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole?
(2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 359.42 g/mol, XLogP of 6.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,6-difluorophenyl)-2-[4-(4-ethenylphenyl)phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142128908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).