2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine

C11H4Cl3F3N2O — CID 114562020

IUPAC2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Oc2cc(Cl)ccc2Cl)nc(Cl)n1
InChIInChI=1S/C11H4Cl3F3N2O/c12-5-1-2-6(13)7(3-5)20-9-4-8(11(15,16)17)18-10(14)19-9/h1-4H
InChIKeyJWFMFHXYQTXUMF-UHFFFAOYSA-N
MW343.52 g/mol
LogP5.25
Rot. Bonds2

About 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine

2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 114562020) has the molecular formula C11H4Cl3F3N2O and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID114562020
Molecular FormulaC11H4Cl3F3N2O
Molecular Weight343.52 g/mol
Exact Mass341.93
IUPAC Name2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(Oc2cc(Cl)ccc2Cl)nc(Cl)n1
InChIInChI=1S/C11H4Cl3F3N2O/c12-5-1-2-6(13)7(3-5)20-9-4-8(11(15,16)17)18-10(14)19-9/h1-4H
InChIKeyJWFMFHXYQTXUMF-UHFFFAOYSA-N
XLogP5.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.52
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-fluorophenoxy)-6-(trifluoromethyl)pyrimidine
CID 114562029
4-(4-bromo-2-methylphenoxy)-2-chloro-6-(trifluoromethyl)pyrimidine
CID 114562091
2-chloro-4-(trifluoromethyl)-6-(2,4,6-trimethylphenoxy)pyrimidine
CID 58974962
[4-(2-bromo-4-chlorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567756
2-chloro-4-(2,4-dichlorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468690
2-chloro-4-[2-chloro-5-(trifluoromethyl)phenoxy]pyrimidine
CID 140995544
2-[4-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 114562023
6-(2,5-dichlorophenoxy)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 12900549
4-(2-chlorophenoxy)-2-[(3-chlorophenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine
CID 46033809
4-(2-chlorophenoxy)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidine
CID 1478446
4-(chloromethyl)-2-(2,5-dichlorophenoxy)-6-methylpyridine
CID 113378896
2-chloro-4-(2-phenoxyethoxy)-6-(trifluoromethyl)pyrimidine
CID 114561970

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine (CID 114562020) is 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(Oc2cc(Cl)ccc2Cl)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is JWFMFHXYQTXUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2O/c12-5-1-2-6(13)7(3-5)20-9-4-8(11(15,16)17)18-10(14)19-9/h1-4H.
What are the key properties of 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine?
2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 343.52 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dichlorophenoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 114562020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).