4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine

C11H4BrCl2F3N2O — CID 114562051

IUPAC4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(Br)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H4BrCl2F3N2O/c12-5-1-2-7(6(13)3-5)20-9-4-8(11(15,16)17)18-10(14)19-9/h1-4H
InChIKeyIGPRAVFMECJBGO-UHFFFAOYSA-N
MW387.97 g/mol
LogP5.36
Rot. Bonds2

About 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine

4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine (PubChem CID 114562051) has the molecular formula C11H4BrCl2F3N2O and a molecular weight of 387.97 g/mol. Its IUPAC name is 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
PubChem CID114562051
Molecular FormulaC11H4BrCl2F3N2O
Molecular Weight387.97 g/mol
Exact Mass385.88
IUPAC Name4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Oc2ccc(Br)cc2Cl)nc(Cl)n1
InChIInChI=1S/C11H4BrCl2F3N2O/c12-5-1-2-7(6(13)3-5)20-9-4-8(11(15,16)17)18-10(14)19-9/h1-4H
InChIKeyIGPRAVFMECJBGO-UHFFFAOYSA-N
XLogP5.36
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.97
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483213
4-(2,4-dichlorophenoxy)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 1483227
N-[4-(2,4-dichlorophenoxy)-6-(trifluoromethyl)-2-pyrimidinyl]-N-isopropylamine
CID 1483262
4-(2,4-Dichlorophenoxy)-6-methylpyrimidine-2-carbonitrile
CID 911258
4-(4-Bromophenoxy)-6-methylpyrimidin-2-amine
CID 24248957
4-(2,4-Dichlorophenoxy)-6-methylpyrimidin-2-amine
CID 112724303
4-(2,3-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 3756228
4-(2,6-dichlorophenoxy)-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 4669089
4-(2-Chlorophenoxy)-5-fluoro-6-methylpyrimidine
CID 22897540
4-[4-[2-chloro-4-[(Z)-3-chlorobut-2-enoxy]phenoxy]butoxy]-2-methyl-6-(trifluoromethyl)pyrimidine
CID 142242961
4-(2-Chlorophenoxy)-2,6-difluoropyrimidine
CID 153726151
4-(4-Bromo-2,6-difluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 157040456

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine (CID 114562051) is 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Oc2ccc(Br)cc2Cl)nc(Cl)n1.
What is the InChIKey of 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
The InChIKey is IGPRAVFMECJBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl2F3N2O/c12-5-1-2-7(6(13)3-5)20-9-4-8(11(15,16)17)18-10(14)19-9/h1-4H.
What are the key properties of 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine?
4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine has a molecular weight of 387.97 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-chlorophenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).