4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine

C11H4Cl2F4N2O — CID 106766656

IUPAC4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFc1ccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C11H4Cl2F4N2O/c12-6-3-5(14)1-2-7(6)20-9-4-8(13)18-10(19-9)11(15,16)17/h1-4H
InChIKeyNYGGGPOKJAYJPM-UHFFFAOYSA-N
MW327.06 g/mol
LogP4.73
Rot. Bonds2

About 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine

4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine (PubChem CID 106766656) has the molecular formula C11H4Cl2F4N2O and a molecular weight of 327.06 g/mol. Its IUPAC name is 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
PubChem CID106766656
Molecular FormulaC11H4Cl2F4N2O
Molecular Weight327.06 g/mol
Exact Mass325.96
IUPAC Name4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine
SMILESFc1ccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c(Cl)c1
InChIInChI=1S/C11H4Cl2F4N2O/c12-6-3-5(14)1-2-7(6)20-9-4-8(13)18-10(19-9)11(15,16)17/h1-4H
InChIKeyNYGGGPOKJAYJPM-UHFFFAOYSA-N
XLogP4.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.06
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine (CID 106766656) is 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine is Fc1ccc(Oc2cc(Cl)nc(C(F)(F)F)n2)c(Cl)c1.
What is the InChIKey of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
The InChIKey is NYGGGPOKJAYJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F4N2O/c12-6-3-5(14)1-2-7(6)20-9-4-8(13)18-10(19-9)11(15,16)17/h1-4H.
What are the key properties of 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine?
4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine has a molecular weight of 327.06 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-chloro-4-fluorophenoxy)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 106766656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).