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

C7H2ClF3N2S — CID 71428099

IUPAC4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)c1csc2ncnc(Cl)c12
InChIInChI=1S/C7H2ClF3N2S/c8-5-4-3(7(9,10)11)1-14-6(4)13-2-12-5/h1-2H
InChIKeyGOZQWBRLYARSRH-UHFFFAOYSA-N
MW238.62 g/mol
LogP3.36
Rot. Bonds

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

4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine (PubChem CID 71428099) has the molecular formula C7H2ClF3N2S and a molecular weight of 238.62 g/mol. Its IUPAC name is 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
PubChem CID71428099
Molecular FormulaC7H2ClF3N2S
Molecular Weight238.62 g/mol
Exact Mass237.96
IUPAC Name4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)c1csc2ncnc(Cl)c12
InChIInChI=1S/C7H2ClF3N2S/c8-5-4-3(7(9,10)11)1-14-6(4)13-2-12-5/h1-2H
InChIKeyGOZQWBRLYARSRH-UHFFFAOYSA-N
XLogP3.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine (CID 71428099) is 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine is FC(F)(F)c1csc2ncnc(Cl)c12.
What is the InChIKey of 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The InChIKey is GOZQWBRLYARSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2S/c8-5-4-3(7(9,10)11)1-14-6(4)13-2-12-5/h1-2H.
What are the key properties of 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine?
4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine has a molecular weight of 238.62 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(trifluoromethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 71428099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).