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

C23H17BrF3NO — CID 58915341

IUPAC5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccccc4Br)=N3)cc2)cc1
InChIInChI=1S/C23H17BrF3NO/c24-20-4-2-1-3-19(20)22-14-13-21(28-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)29-23(25,26)27/h1-12,21H,13-14H2
InChIKeyAZLVKQOCXLNWBE-UHFFFAOYSA-N
MW460.29 g/mol
LogP7.34
Rot. Bonds4

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

5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 58915341) has the molecular formula C23H17BrF3NO and a molecular weight of 460.29 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
PubChem CID58915341
Molecular FormulaC23H17BrF3NO
Molecular Weight460.29 g/mol
Exact Mass459.04
IUPAC Name5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
SMILESFC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccccc4Br)=N3)cc2)cc1
InChIInChI=1S/C23H17BrF3NO/c24-20-4-2-1-3-19(20)22-14-13-21(28-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)29-23(25,26)27/h1-12,21H,13-14H2
InChIKeyAZLVKQOCXLNWBE-UHFFFAOYSA-N
XLogP7.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.29
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxyphenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 58915298
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-5-(2,3,6-trifluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915354
2-(4-bromophenyl)-5-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrrole
CID 12056592
4-chloro-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole;1-chloropyrrolidine-2,5-dione;5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 159932099
1-(trifluoromethoxy)-2-[4-(trifluoromethoxy)phenyl]benzene
CID 90959680
5-(2-chlorophenyl)-2-phenyl-3,4-dihydro-2H-pyrrole
CID 18335732
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
methyl 5-(2-chlorophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole-3-carboxylate
CID 23596520
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
1-chloro-4-[4-[4-(trifluoromethoxy)phenyl]phenyl]silinane
CID 123473619
(2R)-5-(2,6-difluorophenyl)-2-[4-[4-(trifluoromethylsulfinyl)phenyl]phenyl]-3,4-dihydro-2H-pyrrole
CID 12009795
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole-4-sulfonic acid
CID 141055175

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole (CID 58915341) is 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is FC(F)(F)Oc1ccc(-c2ccc(C3CCC(c4ccccc4Br)=N3)cc2)cc1.
What is the InChIKey of 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is AZLVKQOCXLNWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrF3NO/c24-20-4-2-1-3-19(20)22-14-13-21(28-22)17-7-5-15(6-8-17)16-9-11-18(12-10-16)29-23(25,26)27/h1-12,21H,13-14H2.
What are the key properties of 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole?
5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 460.29 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58915341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).