1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol

C13H13F2NOS — CID 172582701

IUPAC1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol
SMILESCCc1ccc2cc(C3(O)CC(F)(F)C3)sc2n1
InChIInChI=1S/C13H13F2NOS/c1-2-9-4-3-8-5-10(18-11(8)16-9)12(17)6-13(14,15)7-12/h3-5,17H,2,6-7H2,1H3
InChIKeyYDAWMNNAQZZHRX-UHFFFAOYSA-N
MW269.32 g/mol
LogP3.48
Rot. Bonds2

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

1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol (PubChem CID 172582701) has the molecular formula C13H13F2NOS and a molecular weight of 269.32 g/mol. Its IUPAC name is 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol.

Molecular Properties

Compound Name1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol
PubChem CID172582701
Molecular FormulaC13H13F2NOS
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol
SMILESCCc1ccc2cc(C3(O)CC(F)(F)C3)sc2n1
InChIInChI=1S/C13H13F2NOS/c1-2-9-4-3-8-5-10(18-11(8)16-9)12(17)6-13(14,15)7-12/h3-5,17H,2,6-7H2,1H3
InChIKeyYDAWMNNAQZZHRX-UHFFFAOYSA-N
XLogP3.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
The IUPAC name of 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol (CID 172582701) is 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol.
What is the SMILES notation for 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
The canonical SMILES for 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol is CCc1ccc2cc(C3(O)CC(F)(F)C3)sc2n1.
What is the InChIKey of 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
The InChIKey is YDAWMNNAQZZHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NOS/c1-2-9-4-3-8-5-10(18-11(8)16-9)12(17)6-13(14,15)7-12/h3-5,17H,2,6-7H2,1H3.
What are the key properties of 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol?
1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol has a molecular weight of 269.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethylthieno[2,3-b]pyridin-2-yl)-3,3-difluorocyclobutan-1-ol is sourced from PubChem (CID 172582701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).