1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone

C14H16FNO — CID 61224051

IUPAC1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CC2CCC1C2
InChIInChI=1S/C14H16FNO/c1-9(17)14-12(15)3-2-4-13(14)16-8-10-5-6-11(16)7-10/h2-4,10-11H,5-8H2,1H3
InChIKeyBNWVHELWQCVMNX-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.02
Rot. Bonds2

About 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone

1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone (PubChem CID 61224051) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone
PubChem CID61224051
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone
SMILESCC(=O)c1c(F)cccc1N1CC2CCC1C2
InChIInChI=1S/C14H16FNO/c1-9(17)14-12(15)3-2-4-13(14)16-8-10-5-6-11(16)7-10/h2-4,10-11H,5-8H2,1H3
InChIKeyBNWVHELWQCVMNX-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone?
The IUPAC name of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone (CID 61224051) is 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone.
What is the SMILES notation for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone?
The canonical SMILES for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone is CC(=O)c1c(F)cccc1N1CC2CCC1C2.
What is the InChIKey of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone?
The InChIKey is BNWVHELWQCVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9(17)14-12(15)3-2-4-13(14)16-8-10-5-6-11(16)7-10/h2-4,10-11H,5-8H2,1H3.
What are the key properties of 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone?
1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone has a molecular weight of 233.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-azabicyclo[2.2.1]heptan-2-yl)-6-fluorophenyl]ethanone is sourced from PubChem (CID 61224051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).