8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone

C15H17F2NO — CID 171947643

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)N3)c(F)cc1F
InChIInChI=1S/C15H17F2NO/c1-8-4-12(14(17)7-13(8)16)15(19)9-5-10-2-3-11(6-9)18-10/h4,7,9-11,18H,2-3,5-6H2,1H3
InChIKeyRUYPTDWYRBBYLO-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.99
Rot. Bonds2

About 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone (PubChem CID 171947643) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
PubChem CID171947643
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone
SMILESCc1cc(C(=O)C2CC3CCC(C2)N3)c(F)cc1F
InChIInChI=1S/C15H17F2NO/c1-8-4-12(14(17)7-13(8)16)15(19)9-5-10-2-3-11(6-9)18-10/h4,7,9-11,18H,2-3,5-6H2,1H3
InChIKeyRUYPTDWYRBBYLO-UHFFFAOYSA-N
XLogP2.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-(2-fluoro-4-methylphenyl)methanone
CID 171944944
(2,4-difluoro-5-methylphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171947649
(2,4-difluoro-5-methylphenyl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171947652
8-azabicyclo[3.2.1]octan-3-yl-(2,5-dimethylphenyl)methanone
CID 171944503
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
9-azabicyclo[3.3.1]nonan-3-yl-(2,3,5,6-tetrafluorophenyl)methanone
CID 171941147
8-azabicyclo[3.2.1]octan-3-yl-(4-fluoronaphthalen-1-yl)methanone
CID 171949009
9-azabicyclo[3.3.1]nonan-3-yl-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 171949519
8-azabicyclo[3.2.1]octan-3-yl-(2-methoxy-4-methylphenyl)methanone
CID 171947080
2-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-4,5-difluorobenzonitrile
CID 171939832
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-difluoro-5-methylbenzenesulfonamide;hydrochloride
CID 119967769
2-[4-(9-azabicyclo[3.3.1]nonane-3-carbonyl)-3-fluorophenyl]acetonitrile
CID 171940007

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone (CID 171947643) is 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone is Cc1cc(C(=O)C2CC3CCC(C2)N3)c(F)cc1F.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone?
The InChIKey is RUYPTDWYRBBYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c1-8-4-12(14(17)7-13(8)16)15(19)9-5-10-2-3-11(6-9)18-10/h4,7,9-11,18H,2-3,5-6H2,1H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(2,4-difluoro-5-methylphenyl)methanone has a molecular weight of 265.30 g/mol, XLogP of 2.99, 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-(2,4-difluoro-5-methylphenyl)methanone is sourced from PubChem (CID 171947643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).