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

C23H20F2N2 — CID 10546579

IUPAC6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C23H20F2N2/c24-15-8-9-18-21(12-15)27-23(22(18)19-13-26-11-10-20(19)25)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,19-20,26-27H,10-11,13H2/t19-,20-/m1/s1
InChIKeyXWGNKABGVNJFEL-WOJBJXKFSA-N
MW362.42 g/mol
LogP5.54
Rot. Bonds2

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

6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole (PubChem CID 10546579) has the molecular formula C23H20F2N2 and a molecular weight of 362.42 g/mol. Its IUPAC name is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole.

Molecular Properties

Compound Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole
PubChem CID10546579
Molecular FormulaC23H20F2N2
Molecular Weight362.42 g/mol
Exact Mass362.16
IUPAC Name6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole
SMILESFc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1
InChIInChI=1S/C23H20F2N2/c24-15-8-9-18-21(12-15)27-23(22(18)19-13-26-11-10-20(19)25)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,19-20,26-27H,10-11,13H2/t19-,20-/m1/s1
InChIKeyXWGNKABGVNJFEL-WOJBJXKFSA-N
XLogP5.54
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.42
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole?
The IUPAC name of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole (CID 10546579) is 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole.
What is the SMILES notation for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole?
The canonical SMILES for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole is Fc1ccc2c([C@@H]3CNCC[C@H]3F)c(-c3cccc4ccccc34)[nH]c2c1.
What is the InChIKey of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole?
The InChIKey is XWGNKABGVNJFEL-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H20F2N2/c24-15-8-9-18-21(12-15)27-23(22(18)19-13-26-11-10-20(19)25)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,19-20,26-27H,10-11,13H2/t19-,20-/m1/s1.
What are the key properties of 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole?
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole has a molecular weight of 362.42 g/mol, XLogP of 5.54, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-naphthalen-1-yl-1H-indole is sourced from PubChem (CID 10546579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).