2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

C21H16F3NO2 — CID 142649868

IUPAC2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3=NC(c4ccco4)CC3)cc2)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)27-17-9-7-15(8-10-17)14-3-5-16(6-4-14)18-11-12-19(25-18)20-2-1-13-26-20/h1-10,13,19H,11-12H2
InChIKeySBEUEUDCRFDVOL-UHFFFAOYSA-N
MW371.36 g/mol
LogP6.17
Rot. Bonds4

About 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole

2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 142649868) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID142649868
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3=NC(c4ccco4)CC3)cc2)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)27-17-9-7-15(8-10-17)14-3-5-16(6-4-14)18-11-12-19(25-18)20-2-1-13-26-20/h1-10,13,19H,11-12H2
InChIKeySBEUEUDCRFDVOL-UHFFFAOYSA-N
XLogP6.17
TPSA34.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 142649868) is 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is FC(F)(F)Oc1ccc(-c2ccc(C3=NC(c4ccco4)CC3)cc2)cc1.
What is the InChIKey of 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is SBEUEUDCRFDVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)27-17-9-7-15(8-10-17)14-3-5-16(6-4-14)18-11-12-19(25-18)20-2-1-13-26-20/h1-10,13,19H,11-12H2.
What are the key properties of 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 371.36 g/mol, XLogP of 6.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 142649868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).