4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine

C11H5Cl2F3N2O — CID 19690796

IUPAC4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F3N2O/c12-8-5-9(13)18-10(17-8)19-7-3-1-2-6(4-7)11(14,15)16/h1-5H
InChIKeyFNEWFGVNPMIGMY-UHFFFAOYSA-N
MW309.07 g/mol
LogP4.59
Rot. Bonds2

About 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine

4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 19690796) has the molecular formula C11H5Cl2F3N2O and a molecular weight of 309.07 g/mol. Its IUPAC name is 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID19690796
Molecular FormulaC11H5Cl2F3N2O
Molecular Weight309.07 g/mol
Exact Mass307.97
IUPAC Name4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine
SMILESFC(F)(F)c1cccc(Oc2nc(Cl)cc(Cl)n2)c1
InChIInChI=1S/C11H5Cl2F3N2O/c12-8-5-9(13)18-10(17-8)19-7-3-1-2-6(4-7)11(14,15)16/h1-5H
InChIKeyFNEWFGVNPMIGMY-UHFFFAOYSA-N
XLogP4.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.07
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine (CID 19690796) is 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine is FC(F)(F)c1cccc(Oc2nc(Cl)cc(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is FNEWFGVNPMIGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2F3N2O/c12-8-5-9(13)18-10(17-8)19-7-3-1-2-6(4-7)11(14,15)16/h1-5H.
What are the key properties of 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine?
4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 309.07 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[3-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 19690796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).