1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one

C18H24FNO — CID 16668547

IUPAC1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C18H24FNO/c1-18(2,3)17(21)20-15-8-9-16(20)11-13(10-15)12-4-6-14(19)7-5-12/h4-7,13,15-16H,8-11H2,1-3H3
InChIKeyPEVFKTKUGDHKLF-UHFFFAOYSA-N
MW289.39 g/mol
LogP4.11
Rot. Bonds1

About 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one

1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one (PubChem CID 16668547) has the molecular formula C18H24FNO and a molecular weight of 289.39 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one
PubChem CID16668547
Molecular FormulaC18H24FNO
Molecular Weight289.39 g/mol
Exact Mass289.18
IUPAC Name1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1C2CCC1CC(c1ccc(F)cc1)C2
InChIInChI=1S/C18H24FNO/c1-18(2,3)17(21)20-15-8-9-16(20)11-13(10-15)12-4-6-14(19)7-5-12/h4-7,13,15-16H,8-11H2,1-3H3
InChIKeyPEVFKTKUGDHKLF-UHFFFAOYSA-N
XLogP4.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one (CID 16668547) is 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1C2CCC1CC(c1ccc(F)cc1)C2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one?
The InChIKey is PEVFKTKUGDHKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO/c1-18(2,3)17(21)20-15-8-9-16(20)11-13(10-15)12-4-6-14(19)7-5-12/h4-7,13,15-16H,8-11H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one?
1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one has a molecular weight of 289.39 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-8-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 16668547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).