2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine

C6F8N2O2 — CID 19743249

IUPAC2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine
SMILESFc1nc(OC(F)(F)F)c(F)c(OC(F)(F)F)n1
InChIInChI=1S/C6F8N2O2/c7-1-2(17-5(9,10)11)15-4(8)16-3(1)18-6(12,13)14
InChIKeyIRBDXLAOXQMLCO-UHFFFAOYSA-N
MW284.06 g/mol
LogP2.55
Rot. Bonds2

About 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine

2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine (PubChem CID 19743249) has the molecular formula C6F8N2O2 and a molecular weight of 284.06 g/mol. Its IUPAC name is 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine
PubChem CID19743249
Molecular FormulaC6F8N2O2
Molecular Weight284.06 g/mol
Exact Mass283.98
IUPAC Name2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine
SMILESFc1nc(OC(F)(F)F)c(F)c(OC(F)(F)F)n1
InChIInChI=1S/C6F8N2O2/c7-1-2(17-5(9,10)11)15-4(8)16-3(1)18-6(12,13)14
InChIKeyIRBDXLAOXQMLCO-UHFFFAOYSA-N
XLogP2.55
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.06
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine?
The IUPAC name of 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine (CID 19743249) is 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine.
What is the SMILES notation for 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine?
The canonical SMILES for 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine is Fc1nc(OC(F)(F)F)c(F)c(OC(F)(F)F)n1.
What is the InChIKey of 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine?
The InChIKey is IRBDXLAOXQMLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F8N2O2/c7-1-2(17-5(9,10)11)15-4(8)16-3(1)18-6(12,13)14.
What are the key properties of 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine?
2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine has a molecular weight of 284.06 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4,6-bis(trifluoromethoxy)pyrimidine is sourced from PubChem (CID 19743249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).