4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine

C6H4F4N2O — CID 58439251

IUPAC4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(F)c1C(F)(F)F
InChIInChI=1S/C6H4F4N2O/c1-13-5-3(6(8,9)10)4(7)11-2-12-5/h2H,1H3
InChIKeyAMOFRGVYGAGYIX-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.64
Rot. Bonds1

About 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 58439251) has the molecular formula C6H4F4N2O and a molecular weight of 196.10 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID58439251
Molecular FormulaC6H4F4N2O
Molecular Weight196.10 g/mol
Exact Mass196.03
IUPAC Name4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1ncnc(F)c1C(F)(F)F
InChIInChI=1S/C6H4F4N2O/c1-13-5-3(6(8,9)10)4(7)11-2-12-5/h2H,1H3
InChIKeyAMOFRGVYGAGYIX-UHFFFAOYSA-N
XLogP1.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine (CID 58439251) is 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine is COc1ncnc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is AMOFRGVYGAGYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O/c1-13-5-3(6(8,9)10)4(7)11-2-12-5/h2H,1H3.
What are the key properties of 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 196.10 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 58439251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).