(4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

C20H19F2NO2 — CID 644810

IUPAC(4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C20H19F2NO2/c21-14-7-5-13(6-8-14)19(24)23-15-9-10-16(23)12-20(25,11-15)17-3-1-2-4-18(17)22/h1-8,15-16,25H,9-12H2
InChIKeyGYQQNUGUMXRQHA-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.62
Rot. Bonds2

About (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone

(4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 644810) has the molecular formula C20H19F2NO2 and a molecular weight of 343.37 g/mol. Its IUPAC name is (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID644810
Molecular FormulaC20H19F2NO2
Molecular Weight343.37 g/mol
Exact Mass343.14
IUPAC Name(4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1ccccc1F)C2
InChIInChI=1S/C20H19F2NO2/c21-14-7-5-13(6-8-14)19(24)23-15-9-10-16(23)12-20(25,11-15)17-3-1-2-4-18(17)22/h1-8,15-16,25H,9-12H2
InChIKeyGYQQNUGUMXRQHA-UHFFFAOYSA-N
XLogP3.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone with MolForge

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Related Compounds

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CID 11632811
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CID 13277350
N-Cyclohexyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylmethylbenzamide
CID 15987307
(S)-N-(trans-4-Fluorocyclohexyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)-N-cyclopropylbenzamide
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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 644810) is (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1ccc(F)cc1)N1C2CCC1CC(O)(c1ccccc1F)C2.
What is the InChIKey of (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is GYQQNUGUMXRQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO2/c21-14-7-5-13(6-8-14)19(24)23-15-9-10-16(23)12-20(25,11-15)17-3-1-2-4-18(17)22/h1-8,15-16,25H,9-12H2.
What are the key properties of (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 343.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[3-(2-fluorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 644810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).