1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol

C11H8ClF3N2OS — CID 172542220

IUPAC1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(Cl)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C11H8ClF3N2OS/c12-9-16-4-5-1-7(19-8(5)17-9)10(18)2-6(3-10)11(13,14)15/h1,4,6,18H,2-3H2
InChIKeyFKYCTRFADUKPGU-UHFFFAOYSA-N
MW308.71 g/mol
LogP3.50
Rot. Bonds1

About 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol

1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 172542220) has the molecular formula C11H8ClF3N2OS and a molecular weight of 308.71 g/mol. Its IUPAC name is 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
PubChem CID172542220
Molecular FormulaC11H8ClF3N2OS
Molecular Weight308.71 g/mol
Exact Mass308.00
IUPAC Name1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol
SMILESOC1(c2cc3cnc(Cl)nc3s2)CC(C(F)(F)F)C1
InChIInChI=1S/C11H8ClF3N2OS/c12-9-16-4-5-1-7(19-8(5)17-9)10(18)2-6(3-10)11(13,14)15/h1,4,6,18H,2-3H2
InChIKeyFKYCTRFADUKPGU-UHFFFAOYSA-N
XLogP3.50
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.71
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol (CID 172542220) is 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol is OC1(c2cc3cnc(Cl)nc3s2)CC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is FKYCTRFADUKPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2OS/c12-9-16-4-5-1-7(19-8(5)17-9)10(18)2-6(3-10)11(13,14)15/h1,4,6,18H,2-3H2.
What are the key properties of 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol?
1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 308.71 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorothieno[2,3-d]pyrimidin-6-yl)-3-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 172542220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).