1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone

C16H20FNO — CID 19006316

IUPAC1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone
SMILESCC(=O)C1C(c2ccc(F)cc2)CC2CCC1N2C
InChIInChI=1S/C16H20FNO/c1-10(19)16-14(11-3-5-12(17)6-4-11)9-13-7-8-15(16)18(13)2/h3-6,13-16H,7-9H2,1-2H3
InChIKeyVFHWZFOARRJNNR-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.98
Rot. Bonds2

About 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone

1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone (PubChem CID 19006316) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone
PubChem CID19006316
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone
SMILESCC(=O)C1C(c2ccc(F)cc2)CC2CCC1N2C
InChIInChI=1S/C16H20FNO/c1-10(19)16-14(11-3-5-12(17)6-4-11)9-13-7-8-15(16)18(13)2/h3-6,13-16H,7-9H2,1-2H3
InChIKeyVFHWZFOARRJNNR-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone (CID 19006316) is 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone is CC(=O)C1C(c2ccc(F)cc2)CC2CCC1N2C.
What is the InChIKey of 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone?
The InChIKey is VFHWZFOARRJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO/c1-10(19)16-14(11-3-5-12(17)6-4-11)9-13-7-8-15(16)18(13)2/h3-6,13-16H,7-9H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone?
1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone has a molecular weight of 261.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]ethanone is sourced from PubChem (CID 19006316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).