4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine

C8H9F3N2O — CID 144745062

IUPAC4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(OCC(C)(F)F)c1F
InChIInChI=1S/C8H9F3N2O/c1-5-6(9)7(13-4-12-5)14-3-8(2,10)11/h4H,3H2,1-2H3
InChIKeyJHFGVNQXWYSFJE-UHFFFAOYSA-N
MW206.17 g/mol
LogP1.96
Rot. Bonds3

About 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine

4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine (PubChem CID 144745062) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine
PubChem CID144745062
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine
SMILESCc1ncnc(OCC(C)(F)F)c1F
InChIInChI=1S/C8H9F3N2O/c1-5-6(9)7(13-4-12-5)14-3-8(2,10)11/h4H,3H2,1-2H3
InChIKeyJHFGVNQXWYSFJE-UHFFFAOYSA-N
XLogP1.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine?
The IUPAC name of 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine (CID 144745062) is 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine?
The canonical SMILES for 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine is Cc1ncnc(OCC(C)(F)F)c1F.
What is the InChIKey of 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine?
The InChIKey is JHFGVNQXWYSFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-5-6(9)7(13-4-12-5)14-3-8(2,10)11/h4H,3H2,1-2H3.
What are the key properties of 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine?
4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine has a molecular weight of 206.17 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)-5-fluoro-6-methylpyrimidine is sourced from PubChem (CID 144745062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).