1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane

C13H16FN — CID 115068342

IUPAC1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane
SMILESFc1ccccc1C12CCC(CCN1)C2
InChIInChI=1S/C13H16FN/c14-12-4-2-1-3-11(12)13-7-5-10(9-13)6-8-15-13/h1-4,10,15H,5-9H2
InChIKeyDOMRUIYJHISGFT-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.81
Rot. Bonds1

About 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane

1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane (PubChem CID 115068342) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane
PubChem CID115068342
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane
SMILESFc1ccccc1C12CCC(CCN1)C2
InChIInChI=1S/C13H16FN/c14-12-4-2-1-3-11(12)13-7-5-10(9-13)6-8-15-13/h1-4,10,15H,5-9H2
InChIKeyDOMRUIYJHISGFT-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)-2-azabicyclo[3.2.1]octane
CID 115068341
1-(2-chlorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063816
1-[2-(1-bicyclo[2.2.1]heptanyl)phenyl]bicyclo[2.2.1]heptane
CID 19801396
4-(2-fluorophenyl)-2-azabicyclo[2.2.1]heptane
CID 115063858
1-(3-chlorophenyl)-2-azabicyclo[3.1.1]heptane
CID 115068314
3-fluoro-3-(2-fluorophenyl)cyclopentan-1-amine
CID 112565720
1-(2-methylphenyl)-5-azabicyclo[2.1.1]hexane
CID 115059472
1-[4-ethyl-1-(2-fluorophenyl)cyclohexyl]-2-fluorobenzene
CID 22420584
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
3-(2-fluorophenyl)-3-methyl-1,2-oxazolidine
CID 123320392
2-(2-bromophenyl)-2-methylpiperidin-4-ol
CID 83557153
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane (CID 115068342) is 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane is Fc1ccccc1C12CCC(CCN1)C2.
What is the InChIKey of 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane?
The InChIKey is DOMRUIYJHISGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-12-4-2-1-3-11(12)13-7-5-10(9-13)6-8-15-13/h1-4,10,15H,5-9H2.
What are the key properties of 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane?
1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane has a molecular weight of 205.28 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-azabicyclo[3.2.1]octane is sourced from PubChem (CID 115068342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).