1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C22H23F2NO2 — CID 11793580

IUPAC1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C22H23F2NO2/c1-14(26)25-19-10-11-20(25)13-21(12-19)27-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,19-22H,10-13H2,1H3/t19-,20+,21?
InChIKeyKXVANVFVPHMDSA-WCRBZPEASA-N
MW371.43 g/mol
LogP4.61
Rot. Bonds4

About 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone

1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 11793580) has the molecular formula C22H23F2NO2 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID11793580
Molecular FormulaC22H23F2NO2
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC Name1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESCC(=O)N1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
InChIInChI=1S/C22H23F2NO2/c1-14(26)25-19-10-11-20(25)13-21(12-19)27-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,19-22H,10-13H2,1H3/t19-,20+,21?
InChIKeyKXVANVFVPHMDSA-WCRBZPEASA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 11793580) is 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone is CC(=O)N1[C@@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2.
What is the InChIKey of 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is KXVANVFVPHMDSA-WCRBZPEASA-N. The full InChI is InChI=1S/C22H23F2NO2/c1-14(26)25-19-10-11-20(25)13-21(12-19)27-22(15-2-6-17(23)7-3-15)16-4-8-18(24)9-5-16/h2-9,19-22H,10-13H2,1H3/t19-,20+,21?.
What are the key properties of 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 371.43 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,5S)-3-[bis(4-fluorophenyl)methoxy]-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 11793580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).