(2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol

C16H12F3NOS — CID 70818885

IUPAC(2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@@](O)(c1ccnc(-c2cccc3ccsc23)c1)C(F)(F)F
InChIInChI=1S/C16H12F3NOS/c1-15(21,16(17,18)19)11-5-7-20-13(9-11)12-4-2-3-10-6-8-22-14(10)12/h2-9,21H,1H3/t15-/m1/s1
InChIKeyOTNFQASUEIKHDF-OAHLLOKOSA-N
MW323.34 g/mol
LogP4.73
Rot. Bonds2

About (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol

(2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 70818885) has the molecular formula C16H12F3NOS and a molecular weight of 323.34 g/mol. Its IUPAC name is (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol
PubChem CID70818885
Molecular FormulaC16H12F3NOS
Molecular Weight323.34 g/mol
Exact Mass323.06
IUPAC Name(2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol
SMILESC[C@@](O)(c1ccnc(-c2cccc3ccsc23)c1)C(F)(F)F
InChIInChI=1S/C16H12F3NOS/c1-15(21,16(17,18)19)11-5-7-20-13(9-11)12-4-2-3-10-6-8-22-14(10)12/h2-9,21H,1H3/t15-/m1/s1
InChIKeyOTNFQASUEIKHDF-OAHLLOKOSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol (CID 70818885) is (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol is C[C@@](O)(c1ccnc(-c2cccc3ccsc23)c1)C(F)(F)F.
What is the InChIKey of (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OTNFQASUEIKHDF-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H12F3NOS/c1-15(21,16(17,18)19)11-5-7-20-13(9-11)12-4-2-3-10-6-8-22-14(10)12/h2-9,21H,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol?
(2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 323.34 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(1-benzothiophen-7-yl)-4-pyridinyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 70818885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).