2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone

C19H20FNO3 — CID 16670056

IUPAC2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1C2CCC1CC(O)(c1ccco1)C2
InChIInChI=1S/C19H20FNO3/c20-14-4-1-3-13(9-14)10-18(22)21-15-6-7-16(21)12-19(23,11-15)17-5-2-8-24-17/h1-5,8-9,15-16,23H,6-7,10-12H2
InChIKeyDVDVVVCTBPHKGK-UHFFFAOYSA-N
MW329.37 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone

2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone (PubChem CID 16670056) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
PubChem CID16670056
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Name2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone
SMILESO=C(Cc1cccc(F)c1)N1C2CCC1CC(O)(c1ccco1)C2
InChIInChI=1S/C19H20FNO3/c20-14-4-1-3-13(9-14)10-18(22)21-15-6-7-16(21)12-19(23,11-15)17-5-2-8-24-17/h1-5,8-9,15-16,23H,6-7,10-12H2
InChIKeyDVDVVVCTBPHKGK-UHFFFAOYSA-N
XLogP3.00
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The IUPAC name of 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone (CID 16670056) is 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone is O=C(Cc1cccc(F)c1)N1C2CCC1CC(O)(c1ccco1)C2.
What is the InChIKey of 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
The InChIKey is DVDVVVCTBPHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-14-4-1-3-13(9-14)10-18(22)21-15-6-7-16(21)12-19(23,11-15)17-5-2-8-24-17/h1-5,8-9,15-16,23H,6-7,10-12H2.
What are the key properties of 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone?
2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone has a molecular weight of 329.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[3-(furan-2-yl)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]ethanone is sourced from PubChem (CID 16670056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).