2,4-difluoro-6-(trichloromethoxy)pyrimidine

C5HCl3F2N2O — CID 11021283

IUPAC2,4-difluoro-6-(trichloromethoxy)pyrimidine
SMILESFc1cc(OC(Cl)(Cl)Cl)nc(F)n1
InChIInChI=1S/C5HCl3F2N2O/c6-5(7,8)13-3-1-2(9)11-4(10)12-3/h1H
InChIKeyKISBMXSGOVDCDN-UHFFFAOYSA-N
MW249.43 g/mol
LogP2.46
Rot. Bonds1

About 2,4-difluoro-6-(trichloromethoxy)pyrimidine

2,4-difluoro-6-(trichloromethoxy)pyrimidine (PubChem CID 11021283) has the molecular formula C5HCl3F2N2O and a molecular weight of 249.43 g/mol. Its IUPAC name is 2,4-difluoro-6-(trichloromethoxy)pyrimidine.

Molecular Properties

Compound Name2,4-difluoro-6-(trichloromethoxy)pyrimidine
PubChem CID11021283
Molecular FormulaC5HCl3F2N2O
Molecular Weight249.43 g/mol
Exact Mass247.91
IUPAC Name2,4-difluoro-6-(trichloromethoxy)pyrimidine
SMILESFc1cc(OC(Cl)(Cl)Cl)nc(F)n1
InChIInChI=1S/C5HCl3F2N2O/c6-5(7,8)13-3-1-2(9)11-4(10)12-3/h1H
InChIKeyKISBMXSGOVDCDN-UHFFFAOYSA-N
XLogP2.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.43
LogP ≤ 52.46
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-difluoro-6-(trichloromethoxy)pyrimidine?
The IUPAC name of 2,4-difluoro-6-(trichloromethoxy)pyrimidine (CID 11021283) is 2,4-difluoro-6-(trichloromethoxy)pyrimidine.
What is the SMILES notation for 2,4-difluoro-6-(trichloromethoxy)pyrimidine?
The canonical SMILES for 2,4-difluoro-6-(trichloromethoxy)pyrimidine is Fc1cc(OC(Cl)(Cl)Cl)nc(F)n1.
What is the InChIKey of 2,4-difluoro-6-(trichloromethoxy)pyrimidine?
The InChIKey is KISBMXSGOVDCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl3F2N2O/c6-5(7,8)13-3-1-2(9)11-4(10)12-3/h1H.
What are the key properties of 2,4-difluoro-6-(trichloromethoxy)pyrimidine?
2,4-difluoro-6-(trichloromethoxy)pyrimidine has a molecular weight of 249.43 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(trichloromethoxy)pyrimidine is sourced from PubChem (CID 11021283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).