1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol

C10H8F3NOS — CID 164709755

IUPAC1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol
SMILESCC(O)(c1ccnc2ccsc12)C(F)(F)F
InChIInChI=1S/C10H8F3NOS/c1-9(15,10(11,12)13)6-2-4-14-7-3-5-16-8(6)7/h2-5,15H,1H3
InChIKeySOCIXDFIBARSTK-UHFFFAOYSA-N
MW247.24 g/mol
LogP3.07
Rot. Bonds1

About 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol

1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol (PubChem CID 164709755) has the molecular formula C10H8F3NOS and a molecular weight of 247.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol
PubChem CID164709755
Molecular FormulaC10H8F3NOS
Molecular Weight247.24 g/mol
Exact Mass247.03
IUPAC Name1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol
SMILESCC(O)(c1ccnc2ccsc12)C(F)(F)F
InChIInChI=1S/C10H8F3NOS/c1-9(15,10(11,12)13)6-2-4-14-7-3-5-16-8(6)7/h2-5,15H,1H3
InChIKeySOCIXDFIBARSTK-UHFFFAOYSA-N
XLogP3.07
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol (CID 164709755) is 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol is CC(O)(c1ccnc2ccsc12)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol?
The InChIKey is SOCIXDFIBARSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NOS/c1-9(15,10(11,12)13)6-2-4-14-7-3-5-16-8(6)7/h2-5,15H,1H3.
What are the key properties of 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol?
1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol has a molecular weight of 247.24 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-thieno[3,2-b]pyridin-7-ylpropan-2-ol is sourced from PubChem (CID 164709755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).