4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine

C13H6F4N2OS — CID 166626936

IUPAC4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
SMILESFc1ccccc1Oc1ncnc2scc(C(F)(F)F)c12
InChIInChI=1S/C13H6F4N2OS/c14-8-3-1-2-4-9(8)20-11-10-7(13(15,16)17)5-21-12(10)19-6-18-11/h1-6H
InChIKeyQNQLZOVJSGIUGE-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.64
Rot. Bonds2

About 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine

4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine (PubChem CID 166626936) has the molecular formula C13H6F4N2OS and a molecular weight of 314.26 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
PubChem CID166626936
Molecular FormulaC13H6F4N2OS
Molecular Weight314.26 g/mol
Exact Mass314.01
IUPAC Name4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
SMILESFc1ccccc1Oc1ncnc2scc(C(F)(F)F)c12
InChIInChI=1S/C13H6F4N2OS/c14-8-3-1-2-4-9(8)20-11-10-7(13(15,16)17)5-21-12(10)19-6-18-11/h1-6H
InChIKeyQNQLZOVJSGIUGE-UHFFFAOYSA-N
XLogP4.64
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine (CID 166626936) is 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine is Fc1ccccc1Oc1ncnc2scc(C(F)(F)F)c12.
What is the InChIKey of 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The InChIKey is QNQLZOVJSGIUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F4N2OS/c14-8-3-1-2-4-9(8)20-11-10-7(13(15,16)17)5-21-12(10)19-6-18-11/h1-6H.
What are the key properties of 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine has a molecular weight of 314.26 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-5-(trifluoromethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 166626936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).