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

C5HClF4N2O — CID 10987705

IUPAC4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine
SMILESFc1cc(OC(F)(F)Cl)nc(F)n1
InChIInChI=1S/C5HClF4N2O/c6-5(9,10)13-3-1-2(7)11-4(8)12-3/h1H
InChIKeyHVXIUKASJQAPLW-UHFFFAOYSA-N
MW216.52 g/mol
LogP1.92
Rot. Bonds2

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

4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine (PubChem CID 10987705) has the molecular formula C5HClF4N2O and a molecular weight of 216.52 g/mol. Its IUPAC name is 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine.

Molecular Properties

Compound Name4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine
PubChem CID10987705
Molecular FormulaC5HClF4N2O
Molecular Weight216.52 g/mol
Exact Mass215.97
IUPAC Name4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine
SMILESFc1cc(OC(F)(F)Cl)nc(F)n1
InChIInChI=1S/C5HClF4N2O/c6-5(9,10)13-3-1-2(7)11-4(8)12-3/h1H
InChIKeyHVXIUKASJQAPLW-UHFFFAOYSA-N
XLogP1.92
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.52
LogP ≤ 51.92
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 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine?
The IUPAC name of 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine (CID 10987705) is 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine.
What is the SMILES notation for 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine?
The canonical SMILES for 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine is Fc1cc(OC(F)(F)Cl)nc(F)n1.
What is the InChIKey of 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine?
The InChIKey is HVXIUKASJQAPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF4N2O/c6-5(9,10)13-3-1-2(7)11-4(8)12-3/h1H.
What are the key properties of 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine?
4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine has a molecular weight of 216.52 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(difluoro)methoxy]-2,6-difluoropyrimidine is sourced from PubChem (CID 10987705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).