1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone

C8H2ClF3N2OS — CID 129286021

IUPAC1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cc2ncnc(Cl)c2s1)C(F)(F)F
InChIInChI=1S/C8H2ClF3N2OS/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h1-2H
InChIKeyKESCFKUXCSBVCV-UHFFFAOYSA-N
MW266.63 g/mol
LogP3.09
Rot. Bonds1

About 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone

1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone (PubChem CID 129286021) has the molecular formula C8H2ClF3N2OS and a molecular weight of 266.63 g/mol. Its IUPAC name is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
PubChem CID129286021
Molecular FormulaC8H2ClF3N2OS
Molecular Weight266.63 g/mol
Exact Mass265.95
IUPAC Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1cc2ncnc(Cl)c2s1)C(F)(F)F
InChIInChI=1S/C8H2ClF3N2OS/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h1-2H
InChIKeyKESCFKUXCSBVCV-UHFFFAOYSA-N
XLogP3.09
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.63
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone (CID 129286021) is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone is O=C(c1cc2ncnc(Cl)c2s1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
The InChIKey is KESCFKUXCSBVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF3N2OS/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h1-2H.
What are the key properties of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone?
1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone has a molecular weight of 266.63 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 129286021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).