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

C8H4ClF3N2OS — CID 129286178

IUPAC1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc2ncnc(Cl)c2s1)C(F)(F)F
InChIInChI=1S/C8H4ClF3N2OS/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h1-2,6,15H
InChIKeyDHERZKVDNRPUBN-UHFFFAOYSA-N
MW268.65 g/mol
LogP2.94
Rot. Bonds1

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

1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol (PubChem CID 129286178) has the molecular formula C8H4ClF3N2OS and a molecular weight of 268.65 g/mol. Its IUPAC name is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol
PubChem CID129286178
Molecular FormulaC8H4ClF3N2OS
Molecular Weight268.65 g/mol
Exact Mass267.97
IUPAC Name1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol
SMILESOC(c1cc2ncnc(Cl)c2s1)C(F)(F)F
InChIInChI=1S/C8H4ClF3N2OS/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h1-2,6,15H
InChIKeyDHERZKVDNRPUBN-UHFFFAOYSA-N
XLogP2.94
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.65
LogP ≤ 52.94
H-Bond Donors ≤ 51
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-trifluoroethanol?
The IUPAC name of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol (CID 129286178) is 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol is OC(c1cc2ncnc(Cl)c2s1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol?
The InChIKey is DHERZKVDNRPUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF3N2OS/c9-7-5-3(13-2-14-7)1-4(16-5)6(15)8(10,11)12/h1-2,6,15H.
What are the key properties of 1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol?
1-(4-chlorothieno[3,2-d]pyrimidin-6-yl)-2,2,2-trifluoroethanol has a molecular weight of 268.65 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 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-trifluoroethanol is sourced from PubChem (CID 129286178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).