5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine

C12H6BrCl2F3N2 — CID 79438371

IUPAC5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C12H6BrCl2F3N2/c13-7-3-1-6(2-4-7)9-10(14)19-8(20-11(9)15)5-12(16,17)18/h1-4H,5H2
InChIKeyGYMONKUWSHPELJ-UHFFFAOYSA-N
MW386.00 g/mol
LogP5.32
Rot. Bonds2

About 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine

5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 79438371) has the molecular formula C12H6BrCl2F3N2 and a molecular weight of 386.00 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID79438371
Molecular FormulaC12H6BrCl2F3N2
Molecular Weight386.00 g/mol
Exact Mass383.90
IUPAC Name5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1
InChIInChI=1S/C12H6BrCl2F3N2/c13-7-3-1-6(2-4-7)9-10(14)19-8(20-11(9)15)5-12(16,17)18/h1-4H,5H2
InChIKeyGYMONKUWSHPELJ-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.00
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine (CID 79438371) is 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1nc(Cl)c(-c2ccc(Br)cc2)c(Cl)n1.
What is the InChIKey of 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is GYMONKUWSHPELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F3N2/c13-7-3-1-6(2-4-7)9-10(14)19-8(20-11(9)15)5-12(16,17)18/h1-4H,5H2.
What are the key properties of 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine?
5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 386.00 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4,6-dichloro-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 79438371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).