2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine

C11H4Cl3F3N2O — CID 91926950

IUPAC2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1cnc(Cl)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H4Cl3F3N2O/c12-6-2-1-5(3-7(6)13)9-8(20-11(15,16)17)4-18-10(14)19-9/h1-4H
InChIKeyOZKXWAGDJGPCJU-UHFFFAOYSA-N
MW343.52 g/mol
LogP5.00
Rot. Bonds2

About 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine

2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine (PubChem CID 91926950) has the molecular formula C11H4Cl3F3N2O and a molecular weight of 343.52 g/mol. Its IUPAC name is 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine
PubChem CID91926950
Molecular FormulaC11H4Cl3F3N2O
Molecular Weight343.52 g/mol
Exact Mass341.93
IUPAC Name2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine
SMILESFC(F)(F)Oc1cnc(Cl)nc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H4Cl3F3N2O/c12-6-2-1-5(3-7(6)13)9-8(20-11(15,16)17)4-18-10(14)19-9/h1-4H
InChIKeyOZKXWAGDJGPCJU-UHFFFAOYSA-N
XLogP5.00
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 ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine?
The IUPAC name of 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine (CID 91926950) is 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine is FC(F)(F)Oc1cnc(Cl)nc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine?
The InChIKey is OZKXWAGDJGPCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl3F3N2O/c12-6-2-1-5(3-7(6)13)9-8(20-11(15,16)17)4-18-10(14)19-9/h1-4H.
What are the key properties of 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine?
2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine has a molecular weight of 343.52 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,4-dichlorophenyl)-5-(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 91926950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).