2,4-bis(difluoromethoxy)pyrimidine

C6H4F4N2O2 — CID 542847

IUPAC2,4-bis(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1ccnc(OC(F)F)n1
InChIInChI=1S/C6H4F4N2O2/c7-4(8)13-3-1-2-11-6(12-3)14-5(9)10/h1-2,4-5H
InChIKeyXDTNRRUKHAZUQD-UHFFFAOYSA-N
MW212.10 g/mol
LogP1.68
Rot. Bonds4

About 2,4-bis(difluoromethoxy)pyrimidine

2,4-bis(difluoromethoxy)pyrimidine (PubChem CID 542847) has the molecular formula C6H4F4N2O2 and a molecular weight of 212.10 g/mol. Its IUPAC name is 2,4-bis(difluoromethoxy)pyrimidine.

Molecular Properties

Compound Name2,4-bis(difluoromethoxy)pyrimidine
PubChem CID542847
Molecular FormulaC6H4F4N2O2
Molecular Weight212.10 g/mol
Exact Mass212.02
IUPAC Name2,4-bis(difluoromethoxy)pyrimidine
SMILESFC(F)Oc1ccnc(OC(F)F)n1
InChIInChI=1S/C6H4F4N2O2/c7-4(8)13-3-1-2-11-6(12-3)14-5(9)10/h1-2,4-5H
InChIKeyXDTNRRUKHAZUQD-UHFFFAOYSA-N
XLogP1.68
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.10
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(difluoromethoxy)pyrimidine?
The IUPAC name of 2,4-bis(difluoromethoxy)pyrimidine (CID 542847) is 2,4-bis(difluoromethoxy)pyrimidine.
What is the SMILES notation for 2,4-bis(difluoromethoxy)pyrimidine?
The canonical SMILES for 2,4-bis(difluoromethoxy)pyrimidine is FC(F)Oc1ccnc(OC(F)F)n1.
What is the InChIKey of 2,4-bis(difluoromethoxy)pyrimidine?
The InChIKey is XDTNRRUKHAZUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O2/c7-4(8)13-3-1-2-11-6(12-3)14-5(9)10/h1-2,4-5H.
What are the key properties of 2,4-bis(difluoromethoxy)pyrimidine?
2,4-bis(difluoromethoxy)pyrimidine has a molecular weight of 212.10 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(difluoromethoxy)pyrimidine is sourced from PubChem (CID 542847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).