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

C7H2ClF3N2S — CID 89089837

IUPAC4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C7H2ClF3N2S/c8-4-3-1-2-14-5(3)13-6(12-4)7(9,10)11/h1-2H
InChIKeyBGEFLISGTFHGTJ-UHFFFAOYSA-N
MW238.62 g/mol
LogP3.36
Rot. Bonds

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

4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine (PubChem CID 89089837) has the molecular formula C7H2ClF3N2S and a molecular weight of 238.62 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine
PubChem CID89089837
Molecular FormulaC7H2ClF3N2S
Molecular Weight238.62 g/mol
Exact Mass237.96
IUPAC Name4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine
SMILESFC(F)(F)c1nc(Cl)c2ccsc2n1
InChIInChI=1S/C7H2ClF3N2S/c8-4-3-1-2-14-5(3)13-6(12-4)7(9,10)11/h1-2H
InChIKeyBGEFLISGTFHGTJ-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-2-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine (CID 89089837) is 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine is FC(F)(F)c1nc(Cl)c2ccsc2n1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine?
The InChIKey is BGEFLISGTFHGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF3N2S/c8-4-3-1-2-14-5(3)13-6(12-4)7(9,10)11/h1-2H.
What are the key properties of 4-chloro-2-(trifluoromethyl)thieno[2,3-d]pyrimidine?
4-chloro-2-(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-2-(trifluoromethyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 89089837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).