5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole

C22H16F5NS — CID 71187999

IUPAC5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3cccc(CC(F)(F)F)c3)s2)CC1
InChIInChI=1S/C22H16F5NS/c23-15-5-2-6-16(24)21(15)18-8-7-17(28-18)20-10-9-19(29-20)14-4-1-3-13(11-14)12-22(25,26)27/h1-6,9-11,17H,7-8,12H2
InChIKeyBRVURFWAEUJCDY-UHFFFAOYSA-N
MW421.43 g/mol
LogP7.12
Rot. Bonds4

About 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole

5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole (PubChem CID 71187999) has the molecular formula C22H16F5NS and a molecular weight of 421.43 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole
PubChem CID71187999
Molecular FormulaC22H16F5NS
Molecular Weight421.43 g/mol
Exact Mass421.09
IUPAC Name5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2ccc(-c3cccc(CC(F)(F)F)c3)s2)CC1
InChIInChI=1S/C22H16F5NS/c23-15-5-2-6-16(24)21(15)18-8-7-17(28-18)20-10-9-19(29-20)14-4-1-3-13(11-14)12-22(25,26)27/h1-6,9-11,17H,7-8,12H2
InChIKeyBRVURFWAEUJCDY-UHFFFAOYSA-N
XLogP7.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.43
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole with MolForge

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Related Compounds

N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine
CID 2739999
2,5-Bis{[(R)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene
CID 139087974
1,1-diphenyl-N-(thiophen-2-ylmethyl)methanimine
CID 13484483
4,5-diphenyl-2-thiophen-2-yl-4H-imidazole
CID 24870390
2-(5-bromothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 11290806
(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethylsulfanyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009789
1-[4-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-[[(1R)-1-phenylethyl]iminomethyl]thiophen-3-yl]cyclopenten-1-yl]-5-methylthiophen-2-yl]-N-[(1R)-1-phenylethyl]methanimine
CID 15505562
5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
CID 18182759
2-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydro-2H-pyrrole
CID 21350348
5-(2,6-difluorophenyl)-2-[4-[4-(5-methylthiophen-2-yl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58664403
5-(2,6-difluorophenyl)-2-(3-methylthiophen-2-yl)-3,4-dihydro-2H-pyrrole
CID 58817485
2-(1-benzothiophen-2-yl)-5-(2,6-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58817491

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole (CID 71187999) is 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2ccc(-c3cccc(CC(F)(F)F)c3)s2)CC1.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole?
The InChIKey is BRVURFWAEUJCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F5NS/c23-15-5-2-6-16(24)21(15)18-8-7-17(28-18)20-10-9-19(29-20)14-4-1-3-13(11-14)12-22(25,26)27/h1-6,9-11,17H,7-8,12H2.
What are the key properties of 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole?
5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole has a molecular weight of 421.43 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-[5-[3-(2,2,2-trifluoroethyl)phenyl]thiophen-2-yl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 71187999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).