8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane

C13H16FN — CID 84673420

IUPAC8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
SMILESFc1cccc(C2C3CCC2CNC3)c1
InChIInChI=1S/C13H16FN/c14-12-3-1-2-9(6-12)13-10-4-5-11(13)8-15-7-10/h1-3,6,10-11,13,15H,4-5,7-8H2
InChIKeyFPCGIRFWIFVBDY-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.54
Rot. Bonds1

About 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane

8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane (PubChem CID 84673420) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
PubChem CID84673420
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane
SMILESFc1cccc(C2C3CCC2CNC3)c1
InChIInChI=1S/C13H16FN/c14-12-3-1-2-9(6-12)13-10-4-5-11(13)8-15-7-10/h1-3,6,10-11,13,15H,4-5,7-8H2
InChIKeyFPCGIRFWIFVBDY-UHFFFAOYSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-(3-fluorophenyl)azetidine;heptane;hydrochloride
CID 175294675
(1R,5R)-N-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane-8-carboxamide
CID 98779497
N-[3-(3-azabicyclo[3.2.1]octan-8-yl)phenyl]methanesulfonamide
CID 69427809
3-(3-fluorophenyl)pyrrolidine;oxalic acid
CID 91623790
3-(3-fluorophenyl)-7-azabicyclo[2.2.1]heptan-2-amine
CID 117194161
3-fluoro-4-(3-fluorophenyl)piperidine
CID 83855496
4-(3-fluorophenyl)-1,2-oxazolidine
CID 105433367
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-3-fluorobenzenesulfonamide
CID 43602916
(4S)-4-(3-fluorophenoxy)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 171700411
2-[4-(3-fluorophenyl)cyclohexyl]-5-methyloxane
CID 142899993
[(3S,4R)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol;hydrochloride
CID 122163804

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane (CID 84673420) is 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane is Fc1cccc(C2C3CCC2CNC3)c1.
What is the InChIKey of 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane?
The InChIKey is FPCGIRFWIFVBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-3-1-2-9(6-12)13-10-4-5-11(13)8-15-7-10/h1-3,6,10-11,13,15H,4-5,7-8H2.
What are the key properties of 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane?
8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane has a molecular weight of 205.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 84673420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).