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

C12H6ClFN2OS — CID 8895911

IUPAC4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3sccc23)cc1Cl
InChIInChI=1S/C12H6ClFN2OS/c13-9-5-7(1-2-10(9)14)17-11-8-3-4-18-12(8)16-6-15-11/h1-6H
InChIKeySPSDQIXLVWRWEP-UHFFFAOYSA-N
MW280.71 g/mol
LogP4.28
Rot. Bonds2

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

4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine (PubChem CID 8895911) has the molecular formula C12H6ClFN2OS and a molecular weight of 280.71 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
PubChem CID8895911
Molecular FormulaC12H6ClFN2OS
Molecular Weight280.71 g/mol
Exact Mass279.99
IUPAC Name4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
SMILESFc1ccc(Oc2ncnc3sccc23)cc1Cl
InChIInChI=1S/C12H6ClFN2OS/c13-9-5-7(1-2-10(9)14)17-11-8-3-4-18-12(8)16-6-15-11/h1-6H
InChIKeySPSDQIXLVWRWEP-UHFFFAOYSA-N
XLogP4.28
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine (CID 8895911) is 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine is Fc1ccc(Oc2ncnc3sccc23)cc1Cl.
What is the InChIKey of 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine?
The InChIKey is SPSDQIXLVWRWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6ClFN2OS/c13-9-5-7(1-2-10(9)14)17-11-8-3-4-18-12(8)16-6-15-11/h1-6H.
What are the key properties of 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine?
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine has a molecular weight of 280.71 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 8895911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).