8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone

C15H18FNO — CID 171944944

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CC3CCC(C2)N3)c(F)c1
InChIInChI=1S/C15H18FNO/c1-9-2-5-13(14(16)6-9)15(18)10-7-11-3-4-12(8-10)17-11/h2,5-6,10-12,17H,3-4,7-8H2,1H3
InChIKeyRGWRCVIVANKIGO-UHFFFAOYSA-N
MW247.31 g/mol
LogP2.85
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone (PubChem CID 171944944) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
PubChem CID171944944
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2CC3CCC(C2)N3)c(F)c1
InChIInChI=1S/C15H18FNO/c1-9-2-5-13(14(16)6-9)15(18)10-7-11-3-4-12(8-10)17-11/h2,5-6,10-12,17H,3-4,7-8H2,1H3
InChIKeyRGWRCVIVANKIGO-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
CID 171947643
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
cycloheptyl-(2-fluoro-4-methylphenyl)methanone
CID 115794872
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119456958
2-[4-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-3-fluorophenyl]acetonitrile
CID 171940007
(2-fluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944974
azetidin-3-yl-(2-fluoro-5-methylphenyl)methanone
CID 116583692
(2-fluoro-5-methylphenyl)-(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171944984
(2-fluoro-4-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787768
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 171949519

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone (CID 171944944) is 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)C2CC3CCC(C2)N3)c(F)c1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone?
The InChIKey is RGWRCVIVANKIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-9-2-5-13(14(16)6-9)15(18)10-7-11-3-4-12(8-10)17-11/h2,5-6,10-12,17H,3-4,7-8H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone has a molecular weight of 247.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 171944944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).