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

C17H11BrCl2F3N — CID 86648072

IUPAC5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(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/h1-7H,8-9H2
InChIKeyRUKRNRMJTWKJQG-UHFFFAOYSA-N
MW437.09 g/mol
LogP6.45
Rot. Bonds2

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

5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (PubChem CID 86648072) has the molecular formula C17H11BrCl2F3N and a molecular weight of 437.09 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
PubChem CID86648072
Molecular FormulaC17H11BrCl2F3N
Molecular Weight437.09 g/mol
Exact Mass434.94
IUPAC Name5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole
SMILESFC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(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/h1-7H,8-9H2
InChIKeyRUKRNRMJTWKJQG-UHFFFAOYSA-N
XLogP6.45
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 ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The IUPAC name of 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole (CID 86648072) is 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole.
What is the SMILES notation for 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The canonical SMILES for 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is FC(F)(F)C1(c2cc(Cl)cc(Cl)c2)CN=C(c2ccc(Br)cc2)C1.
What is the InChIKey of 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
The InChIKey is RUKRNRMJTWKJQG-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/h1-7H,8-9H2.
What are the key properties of 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole?
5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole has a molecular weight of 437.09 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrole is sourced from PubChem (CID 86648072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).