5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine

C7H6F4N2O — CID 154942197

IUPAC5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine
SMILESCOc1ncnc(C(F)(F)CF)c1F
InChIInChI=1S/C7H6F4N2O/c1-14-6-4(9)5(12-3-13-6)7(10,11)2-8/h3H,2H2,1H3
InChIKeyUVNVZIHPZZDEQM-UHFFFAOYSA-N
MW210.13 g/mol
LogP1.69
Rot. Bonds3

About 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine

5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine (PubChem CID 154942197) has the molecular formula C7H6F4N2O and a molecular weight of 210.13 g/mol. Its IUPAC name is 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine
PubChem CID154942197
Molecular FormulaC7H6F4N2O
Molecular Weight210.13 g/mol
Exact Mass210.04
IUPAC Name5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine
SMILESCOc1ncnc(C(F)(F)CF)c1F
InChIInChI=1S/C7H6F4N2O/c1-14-6-4(9)5(12-3-13-6)7(10,11)2-8/h3H,2H2,1H3
InChIKeyUVNVZIHPZZDEQM-UHFFFAOYSA-N
XLogP1.69
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.13
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine?
The IUPAC name of 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine (CID 154942197) is 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine is COc1ncnc(C(F)(F)CF)c1F.
What is the InChIKey of 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine?
The InChIKey is UVNVZIHPZZDEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F4N2O/c1-14-6-4(9)5(12-3-13-6)7(10,11)2-8/h3H,2H2,1H3.
What are the key properties of 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine?
5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine has a molecular weight of 210.13 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-methoxy-6-(1,1,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 154942197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).