2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine

C5HCl3F2N2O — CID 19743220

IUPAC2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine
SMILESFC(F)(Cl)Oc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5HCl3F2N2O/c6-2-1-3(12-4(7)11-2)13-5(8,9)10/h1H
InChIKeyLVKHMLLQTVINDR-UHFFFAOYSA-N
MW249.43 g/mol
LogP2.95
Rot. Bonds2

About 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine

2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine (PubChem CID 19743220) has the molecular formula C5HCl3F2N2O and a molecular weight of 249.43 g/mol. Its IUPAC name is 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine
PubChem CID19743220
Molecular FormulaC5HCl3F2N2O
Molecular Weight249.43 g/mol
Exact Mass247.91
IUPAC Name2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine
SMILESFC(F)(Cl)Oc1cc(Cl)nc(Cl)n1
InChIInChI=1S/C5HCl3F2N2O/c6-2-1-3(12-4(7)11-2)13-5(8,9)10/h1H
InChIKeyLVKHMLLQTVINDR-UHFFFAOYSA-N
XLogP2.95
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine?
The IUPAC name of 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine (CID 19743220) is 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine.
What is the SMILES notation for 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine?
The canonical SMILES for 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine is FC(F)(Cl)Oc1cc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine?
The InChIKey is LVKHMLLQTVINDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl3F2N2O/c6-2-1-3(12-4(7)11-2)13-5(8,9)10/h1H.
What are the key properties of 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine?
2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine has a molecular weight of 249.43 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[chloro(difluoro)methoxy]pyrimidine is sourced from PubChem (CID 19743220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).