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

C21H16F3NO2 — CID 21350336

IUPAC5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccoc4)=N3)cc2)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)27-18-7-5-15(6-8-18)14-1-3-16(4-2-14)19-9-10-20(25-19)17-11-12-26-13-17/h1-8,11-13,19H,9-10H2
InChIKeyMVPAKNKVRNRRBE-UHFFFAOYSA-N
MW371.36 g/mol
LogP6.17
Rot. Bonds4

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

5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 21350336) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID21350336
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC Name5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccoc4)=N3)cc2)cc1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)27-18-7-5-15(6-8-18)14-1-3-16(4-2-14)19-9-10-20(25-19)17-11-12-26-13-17/h1-8,11-13,19H,9-10H2
InChIKeyMVPAKNKVRNRRBE-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 21350336) is 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is FC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccoc4)=N3)cc2)cc1.
What is the InChIKey of 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is MVPAKNKVRNRRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)27-18-7-5-15(6-8-18)14-1-3-16(4-2-14)19-9-10-20(25-19)17-11-12-26-13-17/h1-8,11-13,19H,9-10H2.
What are the key properties of 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
5-(furan-3-yl)-2-[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 5-(furan-3-yl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 21350336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).