6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole

C17H16F2N2S — CID 10495787

IUPAC6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C17H16F2N2S/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13-,14-/m1/s1
InChIKeyGVERGJNQZKUDON-ZIAGYGMSSA-N
MW318.39 g/mol
LogP4.45
Rot. Bonds2

About 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole

6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole (PubChem CID 10495787) has the molecular formula C17H16F2N2S and a molecular weight of 318.39 g/mol. Its IUPAC name is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole
PubChem CID10495787
Molecular FormulaC17H16F2N2S
Molecular Weight318.39 g/mol
Exact Mass318.10
IUPAC Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1
InChIInChI=1S/C17H16F2N2S/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13-,14-/m1/s1
InChIKeyGVERGJNQZKUDON-ZIAGYGMSSA-N
XLogP4.45
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole 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 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole?
The IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole (CID 10495787) is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole?
The canonical SMILES for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole is Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccsc3)[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole?
The InChIKey is GVERGJNQZKUDON-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H16F2N2S/c18-11-1-2-12-15(7-11)21-17(10-4-6-22-9-10)16(12)13-8-20-5-3-14(13)19/h1-2,4,6-7,9,13-14,20-21H,3,5,8H2/t13-,14-/m1/s1.
What are the key properties of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole?
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole has a molecular weight of 318.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole is sourced from PubChem (CID 10495787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).