9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

C15H17F2NO — CID 63795893

IUPAC9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2Cc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c16-11-4-5-15(17)10(6-11)9-18-12-2-1-3-13(18)8-14(19)7-12/h4-6,12-13H,1-3,7-9H2
InChIKeyHISCJLXPOWTZSC-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.05
Rot. Bonds2

About 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one

9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 63795893) has the molecular formula C15H17F2NO and a molecular weight of 265.30 g/mol. Its IUPAC name is 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID63795893
Molecular FormulaC15H17F2NO
Molecular Weight265.30 g/mol
Exact Mass265.13
IUPAC Name9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1CC2CCCC(C1)N2Cc1cc(F)ccc1F
InChIInChI=1S/C15H17F2NO/c16-11-4-5-15(17)10(6-11)9-18-12-2-1-3-13(18)8-14(19)7-12/h4-6,12-13H,1-3,7-9H2
InChIKeyHISCJLXPOWTZSC-UHFFFAOYSA-N
XLogP3.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976
(5R)-8-[(2-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octane
CID 66807176
9-[(2,4-difluorophenyl)methyl]-N-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712049
9-(2,2-difluoroethyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 115408731
9-[(1,3-dimethylpyrazol-4-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-one
CID 112672014
2-[(2,5-difluorophenyl)methyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79914409
4-[(2,5-difluorophenyl)methyl]cyclohexan-1-one
CID 83261542
(1R,9R)-12-[(2,5-difluorophenyl)methyl]-5-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 98071048
9-(4-chloro-2-fluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 62712334
(3R,8aR)-2-[(2,5-difluorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 92603779
8-[2-(4-fluorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one
CID 62739073
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993

Frequently Asked Questions

What is the IUPAC name of 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one (CID 63795893) is 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is O=C1CC2CCCC(C1)N2Cc1cc(F)ccc1F.
What is the InChIKey of 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is HISCJLXPOWTZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO/c16-11-4-5-15(17)10(6-11)9-18-12-2-1-3-13(18)8-14(19)7-12/h4-6,12-13H,1-3,7-9H2.
What are the key properties of 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one?
9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 265.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,5-difluorophenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 63795893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).