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

C18H9ClF2N2OS — CID 71070246

IUPAC4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2nc(Oc3ccc(Cl)cc3F)c3sccc3n2)cc1
InChIInChI=1S/C18H9ClF2N2OS/c19-11-3-6-15(13(21)9-11)24-18-16-14(7-8-25-16)22-17(23-18)10-1-4-12(20)5-2-10/h1-9H
InChIKeySKTTVDRKTZPGLV-UHFFFAOYSA-N
MW374.80 g/mol
LogP6.08
Rot. Bonds3

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

4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine (PubChem CID 71070246) has the molecular formula C18H9ClF2N2OS and a molecular weight of 374.80 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine
PubChem CID71070246
Molecular FormulaC18H9ClF2N2OS
Molecular Weight374.80 g/mol
Exact Mass374.01
IUPAC Name4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine
SMILESFc1ccc(-c2nc(Oc3ccc(Cl)cc3F)c3sccc3n2)cc1
InChIInChI=1S/C18H9ClF2N2OS/c19-11-3-6-15(13(21)9-11)24-18-16-14(7-8-25-16)22-17(23-18)10-1-4-12(20)5-2-10/h1-9H
InChIKeySKTTVDRKTZPGLV-UHFFFAOYSA-N
XLogP6.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.80
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine?
The IUPAC name of 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine (CID 71070246) is 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine?
The canonical SMILES for 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine is Fc1ccc(-c2nc(Oc3ccc(Cl)cc3F)c3sccc3n2)cc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine?
The InChIKey is SKTTVDRKTZPGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N2OS/c19-11-3-6-15(13(21)9-11)24-18-16-14(7-8-25-16)22-17(23-18)10-1-4-12(20)5-2-10/h1-9H.
What are the key properties of 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine?
4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine has a molecular weight of 374.80 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenoxy)-2-(4-fluorophenyl)thieno[3,2-d]pyrimidine is sourced from PubChem (CID 71070246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).