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

C17H16F2N2O — CID 10542381

IUPAC6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccoc3)[nH]c2c1
InChIInChI=1S/C17H16F2N2O/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
InChIKeyYJLRKPZNGHUDFO-ZIAGYGMSSA-N
MW302.32 g/mol
LogP3.98
Rot. Bonds2

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

6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole (PubChem CID 10542381) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
PubChem CID10542381
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccoc3)[nH]c2c1
InChIInChI=1S/C17H16F2N2O/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
InChIKeyYJLRKPZNGHUDFO-ZIAGYGMSSA-N
XLogP3.98
TPSA40.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole?
The IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole (CID 10542381) is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole?
The canonical SMILES for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole is Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3ccoc3)[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole?
The InChIKey is YJLRKPZNGHUDFO-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H16F2N2O/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-(furan-3-yl)-1H-indole?
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-(furan-3-yl)-1H-indole has a molecular weight of 302.32 g/mol, XLogP of 3.98, 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-(furan-3-yl)-1H-indole is sourced from PubChem (CID 10542381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).