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

C19H17F3N2 — CID 10520440

IUPAC6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole
SMILESFc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1
InChIInChI=1S/C19H17F3N2/c20-12-3-1-11(2-4-12)19-18(15-10-23-8-7-16(15)22)14-6-5-13(21)9-17(14)24-19/h1-6,9,15-16,23-24H,7-8,10H2/t15-,16-/m1/s1
InChIKeyHXEXYULSUCMWPN-HZPDHXFCSA-N
MW330.35 g/mol
LogP4.53
Rot. Bonds2

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

6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole (PubChem CID 10520440) has the molecular formula C19H17F3N2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole.

Molecular Properties

Compound Name6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole
PubChem CID10520440
Molecular FormulaC19H17F3N2
Molecular Weight330.35 g/mol
Exact Mass330.13
IUPAC Name6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole
SMILESFc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1
InChIInChI=1S/C19H17F3N2/c20-12-3-1-11(2-4-12)19-18(15-10-23-8-7-16(15)22)14-6-5-13(21)9-17(14)24-19/h1-6,9,15-16,23-24H,7-8,10H2/t15-,16-/m1/s1
InChIKeyHXEXYULSUCMWPN-HZPDHXFCSA-N
XLogP4.53
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
The IUPAC name of 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole (CID 10520440) is 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole.
What is the SMILES notation for 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
The canonical SMILES for 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole is Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2CNCC[C@H]2F)cc1.
What is the InChIKey of 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
The InChIKey is HXEXYULSUCMWPN-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H17F3N2/c20-12-3-1-11(2-4-12)19-18(15-10-23-8-7-16(15)22)14-6-5-13(21)9-17(14)24-19/h1-6,9,15-16,23-24H,7-8,10H2/t15-,16-/m1/s1.
What are the key properties of 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole?
6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole has a molecular weight of 330.35 g/mol, XLogP of 4.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-fluorophenyl)-3-[(3R,4R)-4-fluoropiperidin-3-yl]-1H-indole is sourced from PubChem (CID 10520440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).