4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine

C7H6F4N2O4S — CID 13491830

IUPAC4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N2O4S/c1-18(14,15)7-12-3(16-5(8)9)2-4(13-7)17-6(10)11/h2,5-6H,1H3
InChIKeyKGKJCUZELCBTIO-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.08
Rot. Bonds5

About 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine

4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine (PubChem CID 13491830) has the molecular formula C7H6F4N2O4S and a molecular weight of 290.19 g/mol. Its IUPAC name is 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine.

Molecular Properties

Compound Name4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine
PubChem CID13491830
Molecular FormulaC7H6F4N2O4S
Molecular Weight290.19 g/mol
Exact Mass290.00
IUPAC Name4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine
SMILESCS(=O)(=O)c1nc(OC(F)F)cc(OC(F)F)n1
InChIInChI=1S/C7H6F4N2O4S/c1-18(14,15)7-12-3(16-5(8)9)2-4(13-7)17-6(10)11/h2,5-6H,1H3
InChIKeyKGKJCUZELCBTIO-UHFFFAOYSA-N
XLogP1.08
TPSA78.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine?
The IUPAC name of 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine (CID 13491830) is 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine.
What is the SMILES notation for 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine?
The canonical SMILES for 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine is CS(=O)(=O)c1nc(OC(F)F)cc(OC(F)F)n1.
What is the InChIKey of 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine?
The InChIKey is KGKJCUZELCBTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O4S/c1-18(14,15)7-12-3(16-5(8)9)2-4(13-7)17-6(10)11/h2,5-6H,1H3.
What are the key properties of 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine?
4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine has a molecular weight of 290.19 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(difluoromethoxy)-2-methylsulfonylpyrimidine is sourced from PubChem (CID 13491830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).