2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole

C17H11BrCl2F3N — CID 86648073

IUPAC2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)C=NC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H11BrCl2F3N/c18-12-3-1-10(2-4-12)15-8-16(9-24-15,17(21,22)23)11-5-13(19)7-14(20)6-11/h1-7,9,15H,8H2
InChIKeyJCWZYSAXVVHZLT-UHFFFAOYSA-N
MW437.09 g/mol
LogP6.77
Rot. Bonds2

About 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole

2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 86648073) has the molecular formula C17H11BrCl2F3N and a molecular weight of 437.09 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID86648073
Molecular FormulaC17H11BrCl2F3N
Molecular Weight437.09 g/mol
Exact Mass434.94
IUPAC Name2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)C=NC(c2ccc(Br)cc2)C1
InChIInChI=1S/C17H11BrCl2F3N/c18-12-3-1-10(2-4-12)15-8-16(9-24-15,17(21,22)23)11-5-13(19)7-14(20)6-11/h1-7,9,15H,8H2
InChIKeyJCWZYSAXVVHZLT-UHFFFAOYSA-N
XLogP6.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.09
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-bromo-4-fluorophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 45257781
2-(3-bromo-4-fluorophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-3,4-dihydro-2H-pyrrole
CID 58092082
2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-trifluoromethyl-4,5-dihydro-3H-pyrrole
CID 86648072
2-(4-bromo-3-methyl-phenyl)-4-(3,5-dichloro-phenyl)-4-trifluoromethyl-3,4-dihydro-2H-pyrrole
CID 86658983
5-(4-Bromo-3-methyl-phenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
CID 86691046
5-(4-bromo-3-chloro-phenyl)-3-(3,5-dichloro-phenyl)-3-trifluoromethyl-3,4-dihydro-2H-pyrrole
CID 86691048
1-[2-bromo-4-[4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrol-2-yl]phenyl]-N-methylmethanamine
CID 87167414
2-(4-Bromo-3-chlorophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 89578839
(4R)-2-(3-Methyl-4-bromophenyl)-4beta-(3,5-dichlorophenyl)-4-(trifluoromethyl)-1-pyrroline
CID 102494378
4-(3,5-Dichlorophenyl)-2-(3-methylphenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 141305931
2-(4-Bromo-3-methylphenyl)-4-(3-chloro-5-iodophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 148632755
1-Bromo-4-(isocyanomethyl)-2-methylbenzene;2-(4-bromo-3-methylphenyl)-4-(3,5-dichlorophenyl)-4-methyl-2,3-dihydropyrrole;copper;1,3-dichloro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene;oxocopper
CID 158412814

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole (CID 86648073) is 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)C=NC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is JCWZYSAXVVHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2F3N/c18-12-3-1-10(2-4-12)15-8-16(9-24-15,17(21,22)23)11-5-13(19)7-14(20)6-11/h1-7,9,15H,8H2.
What are the key properties of 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole?
2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 437.09 g/mol, XLogP of 6.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(3,5-dichlorophenyl)-4-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 86648073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).