4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine

C7H5Cl2F3N2O — CID 175548643

IUPAC4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine
SMILESFC(F)C(F)OCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2O/c8-3-1-4(9)14-5(13-3)2-15-7(12)6(10)11/h1,6-7H,2H2
InChIKeyMXZAZDBGJJKFRR-UHFFFAOYSA-N
MW261.03 g/mol
LogP2.86
Rot. Bonds4

About 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine

4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine (PubChem CID 175548643) has the molecular formula C7H5Cl2F3N2O and a molecular weight of 261.03 g/mol. Its IUPAC name is 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine
PubChem CID175548643
Molecular FormulaC7H5Cl2F3N2O
Molecular Weight261.03 g/mol
Exact Mass259.97
IUPAC Name4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine
SMILESFC(F)C(F)OCc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H5Cl2F3N2O/c8-3-1-4(9)14-5(13-3)2-15-7(12)6(10)11/h1,6-7H,2H2
InChIKeyMXZAZDBGJJKFRR-UHFFFAOYSA-N
XLogP2.86
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 52.86
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-(1,2,2-trifluoroethoxymethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine (CID 175548643) is 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine is FC(F)C(F)OCc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine?
The InChIKey is MXZAZDBGJJKFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2O/c8-3-1-4(9)14-5(13-3)2-15-7(12)6(10)11/h1,6-7H,2H2.
What are the key properties of 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine?
4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine has a molecular weight of 261.03 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(1,2,2-trifluoroethoxymethyl)pyrimidine is sourced from PubChem (CID 175548643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).