[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate

C22H24FNO2 — CID 3071154

IUPAC[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate
SMILESCN1[C@@H]2CC[C@H](OC(=O)C(F)(c3ccccc3)c3ccccc3)[C@H]1CC2
InChIInChI=1S/C22H24FNO2/c1-24-18-12-14-19(24)20(15-13-18)26-21(25)22(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20-/m0/s1
InChIKeyPXPFOIYLNCPFCA-ZCNNSNEGSA-N
MW353.44 g/mol
LogP4.07
Rot. Bonds4

About [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate

[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate (PubChem CID 3071154) has the molecular formula C22H24FNO2 and a molecular weight of 353.44 g/mol. Its IUPAC name is [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate.

Molecular Properties

Compound Name[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate
PubChem CID3071154
Molecular FormulaC22H24FNO2
Molecular Weight353.44 g/mol
Exact Mass353.18
IUPAC Name[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate
SMILESCN1[C@@H]2CC[C@H](OC(=O)C(F)(c3ccccc3)c3ccccc3)[C@H]1CC2
InChIInChI=1S/C22H24FNO2/c1-24-18-12-14-19(24)20(15-13-18)26-21(25)22(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20-/m0/s1
InChIKeyPXPFOIYLNCPFCA-ZCNNSNEGSA-N
XLogP4.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate 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 [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate?
The IUPAC name of [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate (CID 3071154) is [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate.
What is the SMILES notation for [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate?
The canonical SMILES for [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate is CN1[C@@H]2CC[C@H](OC(=O)C(F)(c3ccccc3)c3ccccc3)[C@H]1CC2.
What is the InChIKey of [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate?
The InChIKey is PXPFOIYLNCPFCA-ZCNNSNEGSA-N. The full InChI is InChI=1S/C22H24FNO2/c1-24-18-12-14-19(24)20(15-13-18)26-21(25)22(23,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-20H,12-15H2,1H3/t18-,19+,20-/m0/s1.
What are the key properties of [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate?
[(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate has a molecular weight of 353.44 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl] 2-fluoro-2,2-diphenylacetate is sourced from PubChem (CID 3071154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).