5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one

C13H14FNO — CID 84786708

IUPAC5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2(c3cccc(F)c3)CCC1C2
InChIInChI=1S/C13H14FNO/c14-11-3-1-2-10(6-11)13-5-4-9(7-13)12(16)15-8-13/h1-3,6,9H,4-5,7-8H2,(H,15,16)
InChIKeyLQTANGKZVWWZRT-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.99
Rot. Bonds1

About 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one

5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one (PubChem CID 84786708) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one
PubChem CID84786708
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one
SMILESO=C1NCC2(c3cccc(F)c3)CCC1C2
InChIInChI=1S/C13H14FNO/c14-11-3-1-2-10(6-11)13-5-4-9(7-13)12(16)15-8-13/h1-3,6,9H,4-5,7-8H2,(H,15,16)
InChIKeyLQTANGKZVWWZRT-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-chlorophenyl)-3-azabicyclo[3.2.1]octan-2-one
CID 84797846
4-(3-fluorophenyl)-2-azabicyclo[2.1.1]hexane
CID 115014869
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-(3-fluorophenyl)-3-methylcyclopentan-1-ol
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2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
CID 130118878
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
5-fluoro-5-(3-fluorophenyl)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 115033859
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 62387493
(1R)-2-(3-fluorophenyl)-2-methylcyclopropan-1-amine
CID 105432735
1-(3-fluorophenyl)-2-methylcyclopropan-1-ol
CID 79333941
4-fluoro-2-(3-fluorophenyl)-2-methylpiperidine
CID 115027328

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
The IUPAC name of 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one (CID 84786708) is 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
The canonical SMILES for 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one is O=C1NCC2(c3cccc(F)c3)CCC1C2.
What is the InChIKey of 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
The InChIKey is LQTANGKZVWWZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-11-3-1-2-10(6-11)13-5-4-9(7-13)12(16)15-8-13/h1-3,6,9H,4-5,7-8H2,(H,15,16).
What are the key properties of 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one?
5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one has a molecular weight of 219.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-azabicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 84786708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).