1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane

C15H20ClF2NOS — CID 172582621

IUPAC1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane
SMILESCC.CC.OC1(c2cc3ccc(Cl)nc3s2)CC(F)(F)C1
InChIInChI=1S/C11H8ClF2NOS.2C2H6/c12-8-2-1-6-3-7(17-9(6)15-8)10(16)4-11(13,14)5-10;2*1-2/h1-3,16H,4-5H2;2*1-2H3
InChIKeyZVBPFTXSRSGSIR-UHFFFAOYSA-N
MW335.85 g/mol
LogP5.62
Rot. Bonds1

About 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane

1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane (PubChem CID 172582621) has the molecular formula C15H20ClF2NOS and a molecular weight of 335.85 g/mol. Its IUPAC name is 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane.

Molecular Properties

Compound Name1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane
PubChem CID172582621
Molecular FormulaC15H20ClF2NOS
Molecular Weight335.85 g/mol
Exact Mass335.09
IUPAC Name1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane
SMILESCC.CC.OC1(c2cc3ccc(Cl)nc3s2)CC(F)(F)C1
InChIInChI=1S/C11H8ClF2NOS.2C2H6/c12-8-2-1-6-3-7(17-9(6)15-8)10(16)4-11(13,14)5-10;2*1-2/h1-3,16H,4-5H2;2*1-2H3
InChIKeyZVBPFTXSRSGSIR-UHFFFAOYSA-N
XLogP5.62
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.85
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane?
The IUPAC name of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane (CID 172582621) is 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane.
What is the SMILES notation for 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane?
The canonical SMILES for 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane is CC.CC.OC1(c2cc3ccc(Cl)nc3s2)CC(F)(F)C1.
What is the InChIKey of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane?
The InChIKey is ZVBPFTXSRSGSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2NOS.2C2H6/c12-8-2-1-6-3-7(17-9(6)15-8)10(16)4-11(13,14)5-10;2*1-2/h1-3,16H,4-5H2;2*1-2H3.
What are the key properties of 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane?
1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane has a molecular weight of 335.85 g/mol, XLogP of 5.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorothieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol;ethane is sourced from PubChem (CID 172582621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).